CID 5279379

Schembl643215

Structural Information

Molecular Formula
C23H19FN4O2
SMILES
CN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C23H19FN4O2/c1-28(23(30)26-19-14-8-6-12-17(19)24)21-22(29)25-18-13-7-5-11-16(18)20(27-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,25,29)(H,26,30)
InChIKey
RJJQMPTWJCJSFN-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 196.5
[M+Na]+ 425.13842 202.0
[M-H]- 401.14192 204.3
[M+NH4]+ 420.18302 204.1
[M+K]+ 441.11236 201.3
[M+H-H2O]+ 385.14646 185.1
[M+HCOO]- 447.14740 214.1
[M+CH3COO]- 461.16305 204.4
[M+Na-2H]- 423.12387 199.6
[M]+ 402.14865 191.1
[M]- 402.14975 191.1
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.