CID 3045863

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

Structural Information

Molecular Formula
C20H17ClN4O
SMILES
CCN=CC1=C(N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C20H17ClN4O/c1-2-22-11-16-20(26)25-17-9-8-14(21)10-15(17)19(23-12-18(25)24-16)13-6-4-3-5-7-13/h3-11,26H,2,12H2,1H3
InChIKey
KFRUZPLBJFOJFZ-UHFFFAOYSA-N
Compound name
8-chloro-2-(ethyliminomethyl)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

364.1091 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11638 186.3
[M+Na]+ 387.09832 200.6
[M+NH4]+ 382.14292 193.5
[M+K]+ 403.07226 194.2
[M-H]- 363.10182 190.2
[M+Na-2H]- 385.08377 193.0
[M]+ 364.10855 189.8
[M]- 364.10965 189.8
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

patents stripe