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 152.5
[M+Na]+ 277.05592 164.0
[M-H]- 253.05942 152.0
[M+NH4]+ 272.10052 171.1
[M+K]+ 293.02986 158.7
[M+H-H2O]+ 237.06396 143.0
[M+HCOO]- 299.06490 167.9
[M+CH3COO]- 313.08055 164.3
[M+Na-2H]- 275.04137 158.1
[M]+ 254.06615 149.4
[M]- 254.06725 149.4
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.