CID 3040901

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

Structural Information

Molecular Formula
C19H15Cl2N4O
SMILES
C[N+]1=CN(C=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H14Cl2N4O/c1-24-8-9-25(11-24)18-19(26)22-16-7-6-12(20)10-14(16)17(23-18)13-4-2-3-5-15(13)21/h2-11,18H,1H3/p+1
InChIKey
YKYPIVXWRZXLNG-UHFFFAOYSA-O
Compound name
7-chloro-5-(2-chlorophenyl)-3-(3-methylimidazol-3-ium-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06958 191.9
[M+Na]+ 408.05152 203.7
[M-H]- 384.05502 196.9
[M+NH4]+ 403.09612 201.2
[M+K]+ 424.02546 194.1
[M+H-H2O]+ 368.05956 181.8
[M+HCOO]- 430.06050 198.4
[M+CH3COO]- 444.07615 200.4
[M+Na-2H]- 406.03697 194.3
[M]+ 385.06175 190.2
[M]- 385.06285 190.2
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.