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
2
Annotation Hits

0
References

197
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 209.8
[M+Na]+ 420.40502 216.4
[M+NH4]+ 415.44962 197.2
[M+K]+ 436.37896 209.0
[M-H]- 396.40852 210.8
[M+Na-2H]- 418.39047 209.9
[M]+ 397.41525 211.1
[M]- 397.41635 211.1
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