CID 5279038

Chembl189365

Structural Information

Molecular Formula
C19H19ClN4O2
SMILES
CC1=NC=C(N1CCNC(C2=CC=CC=C2)C3=CC=CC=C3Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H19ClN4O2/c1-14-22-13-18(24(25)26)23(14)12-11-21-19(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20/h2-10,13,19,21H,11-12H2,1H3
InChIKey
LXDISTIYYFMMHC-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)-phenylmethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.11966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12694 187.4
[M+Na]+ 393.10888 192.6
[M-H]- 369.11238 194.2
[M+NH4]+ 388.15348 197.7
[M+K]+ 409.08282 182.3
[M+H-H2O]+ 353.11692 181.6
[M+HCOO]- 415.11786 205.6
[M+CH3COO]- 429.13351 212.1
[M+Na-2H]- 391.09433 190.9
[M]+ 370.11911 187.9
[M]- 370.12021 187.9
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.