CID 28685

Carbanilic acid, p-nitro-, 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]+ 358.176126 185.1
[M+Na]+ 380.158068 186.7
[M-H]- 356.161574 191.8
[M+NH4]+ 375.202673 196.1
[M+K]+ 396.132008 180.6
[M+H-H2O]+ 340.166110 179.6
[M+HCOO]- 402.167051 210.7
[M+CH3COO]- 416.182701 215.3
[M+Na-2H]- 378.143516 189.8
[M]+ 357.16830142 185.9
[M]- 357.16939858 185.9
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.