PubChemLite - Eldelidine (C25H39NO7)

Structural Information

Molecular Formula

SMILES

CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC)O)OC)OCO5)O)OC)C

InChI

InChI=1S/C25H39NO7/c1-6-26-11-21(2)8-7-15(30-4)24-18(21)19(27)25(20(24)26)23(32-12-33-25)10-14(29-3)13-9-22(24,28)17(23)16(13)31-5/h13-20,27-28H,6-12H2,1-5H3

InChIKey

GLMFFCVWRKKBJB-UHFFFAOYSA-N

Compound name

14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol

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]+	466.27992	196.7
[M+Na]+	488.26186	202.2
[M-H]-	464.26536	198.9
[M+NH4]+	483.30646	219.7
[M+K]+	504.23580	199.0
[M+H-H2O]+	448.26990	190.6
[M+HCOO]-	510.27084	194.6
[M+CH3COO]-	524.28649	203.3
[M+Na-2H]-	486.24731	197.2
[M]+	465.27209	200.7
[M]-	465.27319	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.27992

196.7

[M+Na]+

488.26186

202.2

[M-H]-

464.26536

198.9

[M+NH4]+

483.30646

219.7

[M+K]+

504.23580

199.0

[M+H-H2O]+

448.26990

190.6

[M+HCOO]-

510.27084

194.6

[M+CH3COO]-

524.28649

203.3

[M+Na-2H]-

486.24731

197.2

[M]+

465.27209

200.7

[M]-

465.27319

200.7

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

Eldelidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe