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
2
Annotation Hits

0
References

702
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 205.4
[M+Na]+ 406.38937 212.5
[M+NH4]+ 401.43397 211.3
[M+K]+ 422.36331 204.5
[M-H]- 382.39287 206.6
[M+Na-2H]- 404.37482 206.1
[M]+ 383.39960 206.8
[M]- 383.40070 206.8
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