CID 3045860

1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-6-(2-chlorophenyl)-2-(4-ethyl-1-piperazinyl)methylene)-

Structural Information

Molecular Formula
C24H23Cl2N5O
SMILES
CCN1CCN(CC1)/C=C/2\C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C24H23Cl2N5O/c1-2-29-9-11-30(12-10-29)15-20-24(32)31-21-8-7-16(25)13-18(21)23(27-14-22(31)28-20)17-5-3-4-6-19(17)26/h3-8,13,15H,2,9-12,14H2,1H3/b20-15+
InChIKey
HSAAYEPHEDFESB-HMMYKYKNSA-N
Compound name
(2E)-8-chloro-6-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methylidene]-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.12796 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.13524 211.7
[M+Na]+ 490.11718 226.3
[M+NH4]+ 485.16178 217.8
[M+K]+ 506.09112 219.0
[M-H]- 466.12068 215.4
[M+Na-2H]- 488.10263 216.4
[M]+ 467.12741 215.4
[M]- 467.12851 215.4
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.