CID 59510

102571-26-6

Structural Information

Molecular Formula
C24H42N3O3
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C24H41N3O3/c1-4-5-6-7-8-9-10-11-12-13-20-27(2,3)21-14-19-25-24(28)22-15-17-23(18-16-22)26(29)30/h15-18H,4-14,19-21H2,1-3H3/p+1
InChIKey
LHRVTMHFXKLFAH-UHFFFAOYSA-O
Compound name
dodecyl-dimethyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.32263 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.32991 211.1
[M+Na]+ 443.31185 210.6
[M-H]- 419.31535 232.9
[M+NH4]+ 438.35645 237.8
[M+K]+ 459.28579 197.3
[M+H-H2O]+ 403.31989 209.2
[M+HCOO]- 465.32083 253.3
[M+CH3COO]- 479.33648 225.7
[M+Na-2H]- 441.29730 215.2
[M]+ 420.32208 229.1
[M]- 420.32318 229.1
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

No patent data available for this compound.