CID 3045852

1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-(((2-hydroxyethyl)amino)methylene)-6-phenyl-

Structural Information

Molecular Formula
C20H17ClN4O2
SMILES
C1C2=NC(=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)O)C=NCCO
InChI
InChI=1S/C20H17ClN4O2/c21-14-6-7-17-15(10-14)19(13-4-2-1-3-5-13)23-12-18-24-16(11-22-8-9-26)20(27)25(17)18/h1-7,10-11,26-27H,8-9,12H2
InChIKey
JYZGZOGIIRIBCJ-UHFFFAOYSA-N
Compound name
8-chloro-2-(2-hydroxyethyliminomethyl)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11128 189.1
[M+Na]+ 403.09322 202.4
[M+NH4]+ 398.13782 195.5
[M+K]+ 419.06716 196.9
[M-H]- 379.09672 192.2
[M+Na-2H]- 401.07867 194.9
[M]+ 380.10345 192.2
[M]- 380.10455 192.2
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.