CID 14430

Brn 0900768

Structural Information

Molecular Formula
C18H18F3N3O
SMILES
CN(C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O
InChI
InChI=1S/C18H18F3N3O/c1-23(2)9-10-24-16-11-12(18(19,20)21)7-8-15(16)22-14-6-4-3-5-13(14)17(24)25/h3-8,11,22H,9-10H2,1-2H3
InChIKey
NUMLEZZJLDPKGR-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1402 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14748 171.3
[M+Na]+ 372.12942 179.1
[M+NH4]+ 367.17402 175.5
[M+K]+ 388.10336 175.1
[M-H]- 348.13292 168.8
[M+Na-2H]- 370.11487 174.2
[M]+ 349.13965 171.4
[M]- 349.14075 171.4
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

No patent data available for this compound.