CID 59508

102571-25-5

Structural Information

Molecular Formula
C24H44N3O
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C24H43N3O/c1-4-5-6-7-8-9-10-11-12-13-20-27(2,3)21-14-19-26-24(28)22-15-17-23(25)18-16-22/h15-18H,4-14,19-21H2,1-3H3,(H2-,25,26,28)/p+1
InChIKey
SKDHRVJUFQBOEQ-UHFFFAOYSA-O
Compound name
3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.34845 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.35573 203.4
[M+Na]+ 413.33767 203.4
[M-H]- 389.34117 205.6
[M+NH4]+ 408.38227 214.5
[M+K]+ 429.31161 193.5
[M+H-H2O]+ 373.34571 197.1
[M+HCOO]- 435.34665 224.1
[M+CH3COO]- 449.36230 229.0
[M+Na-2H]- 411.32312 205.4
[M]+ 390.34790 205.5
[M]- 390.34900 205.5
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

No patent data available for this compound.