CID 11524210

Chembl206114

Structural Information

Molecular Formula
C23H18FN3O3
SMILES
COC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H18FN3O3/c1-30-19-9-5-3-7-17(19)22(28)27-21-23(29)25-18-8-4-2-6-16(18)20(26-21)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKey
JBALFTQSISYQAM-UHFFFAOYSA-N
Compound name
N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.1332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14048 196.8
[M+Na]+ 426.12242 203.5
[M-H]- 402.12592 203.6
[M+NH4]+ 421.16702 204.2
[M+K]+ 442.09636 202.1
[M+H-H2O]+ 386.13046 185.8
[M+HCOO]- 448.13140 213.0
[M+CH3COO]- 462.14705 204.7
[M+Na-2H]- 424.10787 199.2
[M]+ 403.13265 192.5
[M]- 403.13375 192.5
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

No patent data available for this compound.