CID 5279046

N,n-dibenzyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamine

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=NC=C(N1CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O2/c1-17-21-14-20(24(25)26)23(17)13-12-22(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3
InChIKey
DXVNXCIDSGNAJB-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 183.8
[M+Na]+ 373.16352 187.7
[M-H]- 349.16702 191.9
[M+NH4]+ 368.20812 194.5
[M+K]+ 389.13746 179.4
[M+H-H2O]+ 333.17156 176.9
[M+HCOO]- 395.17250 207.9
[M+CH3COO]- 409.18815 213.0
[M+Na-2H]- 371.14897 188.6
[M]+ 350.17375 183.8
[M]- 350.17485 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.