CID 5279325

Schembl643036

Structural Information

Molecular Formula
C23H18ClN3O3
SMILES
COC1=C(C=CC(=C1)Cl)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H18ClN3O3/c1-30-19-13-15(24)11-12-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKey
BIHGIMCBUUNHBP-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

419.10367 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe