CID 135568381

2h-1,4-benzodiazepin-2-one, 1,3-dihydro-1-methyl-5-phenyl-7-trifluoromethoxy-, bisulfate

Structural Information

Molecular Formula
C17H13F3N2O2
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)OC(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C17H13F3N2O2/c1-22-14-8-7-12(24-17(18,19)20)9-13(14)16(21-10-15(22)23)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
SGQZPMWRIYDQOS-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-7-(trifluoromethoxy)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.09293 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10021 169.4
[M+Na]+ 357.08215 178.5
[M-H]- 333.08565 172.4
[M+NH4]+ 352.12675 181.1
[M+K]+ 373.05609 177.8
[M+H-H2O]+ 317.09019 158.8
[M+HCOO]- 379.09113 184.1
[M+CH3COO]- 393.10678 210.1
[M+Na-2H]- 355.06760 174.1
[M]+ 334.09238 165.0
[M]- 334.09348 165.0
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