CID 201945

Diethylmethyl(2-(p-nitro-n-phenylbenzamido)ethyl)ammonium bromide

Structural Information

Molecular Formula
C20H26N3O3
SMILES
CC[N+](C)(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H26N3O3/c1-4-23(3,5-2)16-15-21(18-9-7-6-8-10-18)20(24)17-11-13-19(14-12-17)22(25)26/h6-14H,4-5,15-16H2,1-3H3/q+1
InChIKey
HQAQDMHBUAFSPK-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19742 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20470 186.4
[M+Na]+ 379.18664 188.3
[M-H]- 355.19014 194.6
[M+NH4]+ 374.23124 198.0
[M+K]+ 395.16058 176.8
[M+H-H2O]+ 339.19468 184.2
[M+HCOO]- 401.19562 210.4
[M+CH3COO]- 415.21127 213.0
[M+Na-2H]- 377.17209 194.1
[M]+ 356.19687 185.8
[M]- 356.19797 185.8
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.