CID 87996

19277-88-4

Structural Information

Molecular Formula
C24H51N2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C24H50N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4/h5-23H2,1-4H3/p+1
InChIKey
QSFBUDDTFXACIS-UHFFFAOYSA-O
Compound name
trimethyl-[3-(octadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

737
Patents

383.40015 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.40743 207.8
[M+Na]+ 406.38937 206.8
[M-H]- 382.39287 206.6
[M+NH4]+ 401.43397 233.8
[M+K]+ 422.36331 197.8
[M+H-H2O]+ 366.39741 202.5
[M+HCOO]- 428.39835 247.9
[M+CH3COO]- 442.41400 228.4
[M+Na-2H]- 404.37482 208.3
[M]+ 383.39960 213.9
[M]- 383.40070 213.9
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