CID 5362249

1h-indolo(2,3-c)quinolin-1-one, 2,3,4,7-tetrahydro-3,3-dimethyl-6-(trifluoromethyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H15F3N2O
SMILES
CC1(CC2=C(C(=O)C1)C3=C(C(=N2)C(F)(F)F)NC4=CC=CC=C43)C
InChI
InChI=1S/C18H15F3N2O/c1-17(2)7-11-14(12(24)8-17)13-9-5-3-4-6-10(9)22-15(13)16(23-11)18(19,20)21/h3-6,22H,7-8H2,1-2H3
InChIKey
YZUYVINWCQNHEP-UHFFFAOYSA-N
Compound name
3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11365 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12093 175.2
[M+Na]+ 355.10287 186.2
[M+NH4]+ 350.14747 182.5
[M+K]+ 371.07681 179.4
[M-H]- 331.10637 172.6
[M+Na-2H]- 353.08832 178.3
[M]+ 332.11310 176.0
[M]- 332.11420 176.0
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.