CID 3045848

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

Structural Information

Molecular Formula
C24H23ClN4O
SMILES
C1CCC(CC1)N=CC2=C(N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5)O
InChI
InChI=1S/C24H23ClN4O/c25-17-11-12-21-19(13-17)23(16-7-3-1-4-8-16)27-15-22-28-20(24(30)29(21)22)14-26-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,30H,2,5-6,9-10,15H2
InChIKey
UGIOLKWHOMEWLH-UHFFFAOYSA-N
Compound name
8-chloro-2-(cyclohexyliminomethyl)-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

418.15604 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16332 204.3
[M+Na]+ 441.14526 212.4
[M-H]- 417.14876 212.2
[M+NH4]+ 436.18986 214.2
[M+K]+ 457.11920 207.3
[M+H-H2O]+ 401.15330 192.2
[M+HCOO]- 463.15424 215.2
[M+CH3COO]- 477.16989 212.0
[M+Na-2H]- 439.13071 205.0
[M]+ 418.15549 200.9
[M]- 418.15659 200.9
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.