CID 453295

133626-85-4

Structural Information

Molecular Formula
C16H13ClF3N3O
SMILES
CCN1C2=C(C(=CC(=C2)C(F)(F)F)Cl)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H13ClF3N3O/c1-3-23-12-8-9(16(18,19)20)7-11(17)13(12)22(2)15(24)10-5-4-6-21-14(10)23/h4-8H,3H2,1-2H3
InChIKey
AFCUXPVAIWIPIK-UHFFFAOYSA-N
Compound name
7-chloro-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

355.06992 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07720 172.7
[M+Na]+ 378.05914 185.8
[M-H]- 354.06264 172.6
[M+NH4]+ 373.10374 185.3
[M+K]+ 394.03308 182.9
[M+H-H2O]+ 338.06718 162.0
[M+HCOO]- 400.06812 180.6
[M+CH3COO]- 414.08377 182.7
[M+Na-2H]- 376.04459 176.9
[M]+ 355.06937 171.2
[M]- 355.07047 171.2
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.