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 178.2
[M+Na]+ 355.10287 190.8
[M-H]- 331.10637 177.7
[M+NH4]+ 350.14747 196.2
[M+K]+ 371.07681 182.6
[M+H-H2O]+ 315.11091 168.1
[M+HCOO]- 377.11185 189.6
[M+CH3COO]- 391.12750 188.2
[M+Na-2H]- 353.08832 182.4
[M]+ 332.11310 175.2
[M]- 332.11420 175.2
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.