CID 105495

67633-63-0

Structural Information

Molecular Formula
C25H53N2O
SMILES
CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C25H52N2O/c1-6-27(4,5)23-19-22-26-25(28)21-18-16-14-12-10-8-7-9-11-13-15-17-20-24(2)3/h24H,6-23H2,1-5H3/p+1
InChIKey
PDPQOUABMCNPBG-UHFFFAOYSA-O
Compound name
ethyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

199
Patents

397.4158 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.42308 212.7
[M+Na]+ 420.40502 211.1
[M-H]- 396.40852 229.7
[M+NH4]+ 415.44962 237.4
[M+K]+ 436.37896 202.4
[M+H-H2O]+ 380.41306 207.4
[M+HCOO]- 442.41400 247.3
[M+CH3COO]- 456.42965 232.0
[M+Na-2H]- 418.39047 211.5
[M]+ 397.41525 235.2
[M]- 397.41635 235.2
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