CID 3045834

61197-44-2

Structural Information

Molecular Formula
C20H17ClN4O
SMILES
CN(C)/C=C/1\C(=O)N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H17ClN4O/c1-24(2)12-16-20(26)25-17-9-8-14(21)10-15(17)19(22-11-18(25)23-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/b16-12+
InChIKey
CNPFZBDPBTUMKB-FOWTUZBSSA-N
Compound name
(2E)-8-chloro-2-(dimethylaminomethylidene)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1091 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11638 187.7
[M+Na]+ 387.09832 198.6
[M-H]- 363.10182 195.2
[M+NH4]+ 382.14292 201.1
[M+K]+ 403.07226 195.2
[M+H-H2O]+ 347.10636 177.2
[M+HCOO]- 409.10730 202.3
[M+CH3COO]- 423.12295 198.0
[M+Na-2H]- 385.08377 190.0
[M]+ 364.10855 188.7
[M]- 364.10965 188.7
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.