CID 453300

133626-89-8

Structural Information

Molecular Formula
C17H14F5N3O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC(=C3)C(C(F)(F)F)(F)F)C
InChI
InChI=1S/C17H14F5N3O/c1-3-25-13-7-5-4-6-12(13)24(2)15(26)11-8-10(9-23-14(11)25)16(18,19)17(20,21)22/h4-9H,3H2,1-2H3
InChIKey
RPRAZABDWBSLOI-UHFFFAOYSA-N
Compound name
11-ethyl-6-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.1057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11298 176.9
[M+Na]+ 394.09492 187.8
[M-H]- 370.09842 174.5
[M+NH4]+ 389.13952 187.5
[M+K]+ 410.06886 185.6
[M+H-H2O]+ 354.10296 165.0
[M+HCOO]- 416.10390 185.0
[M+CH3COO]- 430.11955 219.2
[M+Na-2H]- 392.08037 181.5
[M]+ 371.10515 170.6
[M]- 371.10625 170.6
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.