CID 5279190

Schembl643423

Structural Information

Molecular Formula
C23H19FN4O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NCC4=CC=CC=C4F
InChI
InChI=1S/C23H19FN4O2/c24-18-12-6-4-10-16(18)14-25-23(30)28-21-22(29)26-19-13-7-5-11-17(19)20(27-21)15-8-2-1-3-9-15/h1-13,21H,14H2,(H,26,29)(H2,25,28,30)
InChIKey
MQLNAHBCYVSBIB-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-3-(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

24
Patents

402.1492 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15648 197.1
[M+Na]+ 425.13842 202.5
[M-H]- 401.14192 203.5
[M+NH4]+ 420.18302 204.1
[M+K]+ 441.11236 200.5
[M+H-H2O]+ 385.14646 185.7
[M+HCOO]- 447.14740 214.1
[M+CH3COO]- 461.16305 204.4
[M+Na-2H]- 423.12387 200.8
[M]+ 402.14865 190.5
[M]- 402.14975 190.5
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.