CID 73802037

Pimpifolidine

Structural Information

Molecular Formula
C27H45NO3
SMILES
CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1)O
InChI
InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3
InChIKey
ZHFCFFSSVSIEIR-UHFFFAOYSA-N
Compound name
10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosane-7,22-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

431.33994 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.34722 210.6
[M+Na]+ 454.32916 212.8
[M-H]- 430.33266 209.7
[M+NH4]+ 449.37376 227.6
[M+K]+ 470.30310 205.6
[M+H-H2O]+ 414.33720 200.9
[M+HCOO]- 476.33814 203.5
[M+CH3COO]- 490.35379 213.6
[M+Na-2H]- 452.31461 205.8
[M]+ 431.33939 197.4
[M]- 431.34049 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.