CID 3065707

7-chloro-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H17ClN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClN2O4/c1-29-17-10-7-15(8-11-17)23(28)30-22-21(27)25-19-12-9-16(24)13-18(19)20(26-22)14-5-3-2-4-6-14/h2-13,22H,1H3,(H,25,27)
InChIKey
QZZKVUCGUUSJOL-UHFFFAOYSA-N
Compound name
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.08768 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09496 198.2
[M+Na]+ 443.07690 206.9
[M-H]- 419.08040 206.0
[M+NH4]+ 438.12150 206.3
[M+K]+ 459.05084 205.4
[M+H-H2O]+ 403.08494 188.2
[M+HCOO]- 465.08588 210.4
[M+CH3COO]- 479.10153 206.9
[M+Na-2H]- 441.06235 200.3
[M]+ 420.08713 198.9
[M]- 420.08823 198.9
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.