CID 25091

10243-44-4

Structural Information

Molecular Formula
C19H17F3N2O
SMILES
CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O/c1-23-16-7-6-13(19(20,21)22)10-15(16)18-14-5-3-2-4-12(14)8-9-24(18)11-17(23)25/h2-7,10,18H,8-9,11H2,1H3
InChIKey
QZGMLPBWGWFSRH-UHFFFAOYSA-N
Compound name
5-methyl-2-(trifluoromethyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1293 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13658 173.7
[M+Na]+ 369.11852 183.0
[M+NH4]+ 364.16312 179.3
[M+K]+ 385.09246 177.7
[M-H]- 345.12202 172.0
[M+Na-2H]- 367.10397 176.2
[M]+ 346.12875 174.4
[M]- 346.12985 174.4
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.