CID 2402646

7-chloro-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-one

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C1
InChI
InChI=1S/C11H9ClN2O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6H,1-2,5H2
InChIKey
HGYQPVBFNWJTIW-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

220.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.4
[M+Na]+ 243.02956 156.5
[M-H]- 219.03306 147.5
[M+NH4]+ 238.07416 165.3
[M+K]+ 259.00350 150.8
[M+H-H2O]+ 203.03760 137.6
[M+HCOO]- 265.03854 160.3
[M+CH3COO]- 279.05419 157.9
[M+Na-2H]- 241.01501 151.0
[M]+ 220.03979 146.7
[M]- 220.04089 146.7
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

patents stripe