CID 5279328

Schembl641964

Structural Information

Molecular Formula
C23H18FN3O3
SMILES
COC1=C(C=C(C=C1)F)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H18FN3O3/c1-30-19-12-11-15(24)13-17(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
ZLGNTEIVXMFDOZ-UHFFFAOYSA-N
Compound name
5-fluoro-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

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

patents stripe