CID 28685

P-nitrocarbanilic acid 2-(methyl(3-phenylpropyl)amino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CN(CCCC1=CC=CC=C1)CCOC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H23N3O4/c1-21(13-5-8-16-6-3-2-4-7-16)14-15-26-19(23)20-17-9-11-18(12-10-17)22(24)25/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,20,23)
InChIKey
OYLYCIWOLQJIRQ-UHFFFAOYSA-N
Compound name
2-[methyl(3-phenylpropyl)amino]ethyl N-(4-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 184.6
[M+Na]+ 380.15807 195.6
[M+NH4]+ 375.20267 190.7
[M+K]+ 396.13201 191.5
[M-H]- 356.16157 190.2
[M+Na-2H]- 378.14352 191.7
[M]+ 357.16830 187.4
[M]- 357.16940 187.4
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

No patent data available for this compound.