PubChemLite - 26989-39-9 (C20H25NO3)

Structural Information

Molecular Formula

SMILES

C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C=C(C=C5)O)O

InChI

InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1

InChIKey

JKSUUZMNWGEVRC-VAMGGRTRSA-N

Compound name

(1R,9R,10S)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

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]+	328.19072	181.1
[M+Na]+	350.17266	194.6
[M+NH4]+	345.21726	193.4
[M+K]+	366.14660	184.7
[M-H]-	326.17616	192.2
[M+Na-2H]-	348.15811	189.1
[M]+	327.18289	187.7
[M]-	327.18399	187.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

328.19072

181.1

[M+Na]+

350.17266

194.6

[M+NH4]+

345.21726

193.4

[M+K]+

366.14660

184.7

[M-H]-

326.17616

192.2

[M+Na-2H]-

348.15811

189.1

[M]+

327.18289

187.7

[M]-

327.18399

187.7

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

26989-39-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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