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 202.5
[M+Na]+ 439.15408 208.7
[M-H]- 415.15758 210.4
[M+NH4]+ 434.19868 209.9
[M+K]+ 455.12802 207.3
[M+H-H2O]+ 399.16212 190.7
[M+HCOO]- 461.16306 220.6
[M+CH3COO]- 475.17871 210.3
[M+Na-2H]- 437.13953 205.2
[M]+ 416.16431 198.2
[M]- 416.16541 198.2
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