CID 207731

3-salicylamidopropyl-dimethyl-dodecyl ammonium bromide

Structural Information

Molecular Formula
C24H43N2O2
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C24H42N2O2/c1-4-5-6-7-8-9-10-11-12-15-20-26(2,3)21-16-19-25-24(28)22-17-13-14-18-23(22)27/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3,(H-,25,27,28)/p+1
InChIKey
DSVWYUGYRPLQCS-UHFFFAOYSA-O
Compound name
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.33246 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.33974 204.1
[M+Na]+ 414.32168 204.4
[M-H]- 390.32518 205.5
[M+NH4]+ 409.36628 214.9
[M+K]+ 430.29562 194.4
[M+H-H2O]+ 374.32972 198.2
[M+HCOO]- 436.33066 223.1
[M+CH3COO]- 450.34631 224.0
[M+Na-2H]- 412.30713 206.3
[M]+ 391.33191 207.4
[M]- 391.33301 207.4
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