CID 3058265

74858-68-7

Structural Information

Molecular Formula
C24H21FN4O2
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4F
InChI
InChI=1S/C24H21FN4O2/c1-29-21-12-11-17(28-24(31)27-14-16-7-3-2-4-8-16)13-19(21)23(26-15-22(29)30)18-9-5-6-10-20(18)25/h2-13H,14-15H2,1H3,(H2,27,28,31)
InChIKey
OWRZPLLCJUFOTF-UHFFFAOYSA-N
Compound name
1-benzyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

416.16486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17214 201.1
[M+Na]+ 439.15408 212.9
[M+NH4]+ 434.19868 206.2
[M+K]+ 455.12802 206.0
[M-H]- 415.15758 205.7
[M+Na-2H]- 437.13953 208.6
[M]+ 416.16431 204.0
[M]- 416.16541 204.0
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

patents stripe