CID 2400458

6-(trifluoromethyl)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-one

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
C1CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=O)N2C1
InChI
InChI=1S/C12H9F3N2O/c13-12(14,15)7-3-4-8-9(6-7)16-10-2-1-5-17(10)11(8)18/h3-4,6H,1-2,5H2
InChIKey
XPTCIUNLMMBYKQ-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.0667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07398 154.4
[M+Na]+ 277.05592 164.7
[M+NH4]+ 272.10052 160.5
[M+K]+ 293.02986 160.5
[M-H]- 253.05942 151.2
[M+Na-2H]- 275.04137 157.4
[M]+ 254.06615 154.7
[M]- 254.06725 154.7
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.