CID 56842392

Ricinoleamidopropyltrimonium methosulfate

Structural Information

Molecular Formula
C24H49N2O2
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)C)O
InChI
InChI=1S/C24H48N2O2/c1-5-6-7-14-18-23(27)19-15-12-10-8-9-11-13-16-20-24(28)25-21-17-22-26(2,3)4/h12,15,23,27H,5-11,13-14,16-22H2,1-4H3/p+1/b15-12-/t23-/m1/s1
InChIKey
NYGFQRKIKKRNLC-MGYADMTCSA-O
Compound name
3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

359
Patents

397.3794 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.38668 209.6
[M+Na]+ 420.36862 239.0
[M-H]- 396.37212 224.4
[M+NH4]+ 415.41322 229.5
[M+K]+ 436.34256 198.8
[M+H-H2O]+ 380.37666 204.7
[M+HCOO]- 442.37760 240.2
[M+CH3COO]- 456.39325 226.5
[M+Na-2H]- 418.35407 208.7
[M]+ 397.37885 226.9
[M]- 397.37995 226.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe