CID 11553151

885515-45-7

Structural Information

Molecular Formula
C23H19FN4O2
SMILES
CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC=C3F)C4=CC=CC=C4
InChI
InChI=1S/C23H19FN4O2/c1-28-19-14-8-5-11-16(19)20(15-9-3-2-4-10-15)26-21(22(28)29)27-23(30)25-18-13-7-6-12-17(18)24/h2-14,21H,1H3,(H2,25,27,30)
InChIKey
FKSVPRHUDXYQHO-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1492 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15648 198.3
[M+Na]+ 425.13842 205.0
[M-H]- 401.14192 206.4
[M+NH4]+ 420.18302 206.3
[M+K]+ 441.11236 203.7
[M+H-H2O]+ 385.14646 186.7
[M+HCOO]- 447.14740 216.7
[M+CH3COO]- 461.16305 206.5
[M+Na-2H]- 423.12387 201.5
[M]+ 402.14865 193.8
[M]- 402.14975 193.8
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.