CID 6446603

Brn 0578099

Structural Information

Molecular Formula
C24H16ClN3O
SMILES
C1C2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C4=C(C=C(C=C4)Cl)C(=N1)C5=CC=CC=C5
InChI
InChI=1S/C24H16ClN3O/c25-18-11-12-21-19(14-18)23(17-9-5-2-6-10-17)26-15-22-27-20(24(29)28(21)22)13-16-7-3-1-4-8-16/h1-14H,15H2/b20-13+
InChIKey
QXFPUDQMNSTXFQ-DEDYPNTBSA-N
Compound name
(2E)-2-benzylidene-8-chloro-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

397.09818 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10546 199.6
[M+Na]+ 420.08740 210.8
[M-H]- 396.09090 208.3
[M+NH4]+ 415.13200 210.7
[M+K]+ 436.06134 204.7
[M+H-H2O]+ 380.09544 188.3
[M+HCOO]- 442.09638 212.3
[M+CH3COO]- 456.11203 208.8
[M+Na-2H]- 418.07285 201.3
[M]+ 397.09763 198.7
[M]- 397.09873 198.7
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.