CID 5279156

Schembl643084

Structural Information

Molecular Formula
C23H18ClN3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H18ClN3O3/c1-30-17-10-7-15(8-11-17)22(28)27-21-23(29)25-19-12-9-16(24)13-18(19)20(26-21)14-5-3-2-4-6-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKey
DQFHHMQXQINYJP-UHFFFAOYSA-N
Compound name
N-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

419.10367 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11095 200.5
[M+Na]+ 442.09289 208.5
[M-H]- 418.09639 208.2
[M+NH4]+ 437.13749 208.3
[M+K]+ 458.06683 206.5
[M+H-H2O]+ 402.10093 190.1
[M+HCOO]- 464.10187 213.5
[M+CH3COO]- 478.11752 208.7
[M+Na-2H]- 440.07834 203.0
[M]+ 419.10312 199.3
[M]- 419.10422 199.3
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.