CID 3040831

1h-imidazolium, 3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride

Structural Information

Molecular Formula
C20H18ClN4O
SMILES
CC[N+]1=CN(C=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H17ClN4O/c1-2-24-10-11-25(13-24)19-20(26)22-17-9-8-15(21)12-16(17)18(23-19)14-6-4-3-5-7-14/h3-13,19H,2H2,1H3/p+1
InChIKey
RHQJRBBAAAHWDK-UHFFFAOYSA-O
Compound name
7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1169 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12418 188.1
[M+Na]+ 388.10612 204.6
[M+NH4]+ 383.15072 195.5
[M+K]+ 404.08006 199.0
[M-H]- 364.10962 193.5
[M+Na-2H]- 386.09157 196.5
[M]+ 365.11635 192.7
[M]- 365.11745 192.7
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.