CID 453279

133626-73-0

Structural Information

Molecular Formula
C16H14F3N3O
SMILES
CCN1C2=C(C=CC(=C2)C(F)(F)F)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H14F3N3O/c1-3-22-13-9-10(16(17,18)19)6-7-12(13)21(2)15(23)11-5-4-8-20-14(11)22/h4-9H,3H2,1-2H3
InChIKey
SNZNEMLKKGAZGA-UHFFFAOYSA-N
Compound name
11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11618 168.3
[M+Na]+ 344.09812 179.1
[M-H]- 320.10162 168.2
[M+NH4]+ 339.14272 180.9
[M+K]+ 360.07206 177.3
[M+H-H2O]+ 304.10616 157.6
[M+HCOO]- 366.10710 180.3
[M+CH3COO]- 380.12275 210.8
[M+Na-2H]- 342.08357 173.4
[M]+ 321.10835 164.4
[M]- 321.10945 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.