CID 5279181

Schembl642770

Structural Information

Molecular Formula
C22H14F3N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC(=C(C=C4F)F)F
InChI
InChI=1S/C22H14F3N3O2/c23-15-11-17(25)16(24)10-14(15)21(29)28-20-22(30)26-18-9-5-4-8-13(18)19(27-20)12-6-2-1-3-7-12/h1-11,20H,(H,26,30)(H,28,29)
InChIKey
PKOILHCEUNPLIF-UHFFFAOYSA-N
Compound name
2,4,5-trifluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

409.10382 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11110 193.3
[M+Na]+ 432.09304 201.7
[M-H]- 408.09654 198.1
[M+NH4]+ 427.13764 200.8
[M+K]+ 448.06698 199.0
[M+H-H2O]+ 392.10108 181.1
[M+HCOO]- 454.10202 207.7
[M+CH3COO]- 468.11767 201.2
[M+Na-2H]- 430.07849 194.4
[M]+ 409.10327 186.0
[M]- 409.10437 186.0
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