CID 336440

Nsc350984

Structural Information

Molecular Formula
C19H14F3N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=CC=CC=C4N=C3C(F)(F)F
InChI
InChI=1S/C19H14F3N3O/c20-19(21,22)18-24-16-8-4-2-6-14(16)17(26)25(18)10-9-12-11-23-15-7-3-1-5-13(12)15/h1-8,11,23H,9-10H2
InChIKey
ABBNVHRKXQBPTQ-UHFFFAOYSA-N
Compound name
3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1089 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11618 183.4
[M+Na]+ 380.09812 195.5
[M-H]- 356.10162 183.9
[M+NH4]+ 375.14272 195.5
[M+K]+ 396.07206 186.4
[M+H-H2O]+ 340.10616 171.3
[M+HCOO]- 402.10710 197.5
[M+CH3COO]- 416.12275 192.9
[M+Na-2H]- 378.08357 188.1
[M]+ 357.10835 182.1
[M]- 357.10945 182.1
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.