PubChemLite - Prostaglandin f2alpha serinol amide (C23H41NO6)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)NC(CO)CO)O)O)O

InChI

InChI=1S/C23H41NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-22,25-29H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-,22+/m0/s1

InChIKey

IRAOUIWKWHBHDC-GKUWGJHRSA-N

Compound name

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-(1,3-dihydroxypropan-2-yl)hept-5-enamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	428.30068	210.2
[M+Na]+	450.28262	208.6
[M-H]-	426.28612	204.5
[M+NH4]+	445.32722	218.0
[M+K]+	466.25656	203.4
[M+H-H2O]+	410.29066	203.5
[M+HCOO]-	472.29160	220.0
[M+CH3COO]-	486.30725	221.9
[M+Na-2H]-	448.26807	200.2
[M]+	427.29285	208.2
[M]-	427.29395	208.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.30068

210.2

[M+Na]+

450.28262

208.6

[M-H]-

426.28612

204.5

[M+NH4]+

445.32722

218.0

[M+K]+

466.25656

203.4

[M+H-H2O]+

410.29066

203.5

[M+HCOO]-

472.29160

220.0

[M+CH3COO]-

486.30725

221.9

[M+Na-2H]-

448.26807

200.2

[M]+

427.29285

208.2

[M]-

427.29395

208.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Prostaglandin f2alpha serinol amide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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