CID 93886

58721-74-7

Structural Information

Molecular Formula
C17H19F3N2O
SMILES
CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C
InChI
InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3
InChIKey
IOUKYANHUBKAIN-UHFFFAOYSA-N
Compound name
1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

324.14496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15224 174.6
[M+Na]+ 347.13418 188.5
[M-H]- 323.13768 175.1
[M+NH4]+ 342.17878 193.6
[M+K]+ 363.10812 182.4
[M+H-H2O]+ 307.14222 165.9
[M+HCOO]- 369.14316 188.2
[M+CH3COO]- 383.15881 213.0
[M+Na-2H]- 345.11963 176.2
[M]+ 324.14441 175.0
[M]- 324.14551 175.0
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

patents stripe