CID 69778483

Pyrrolo[2,1-b]quinazolin-9(1h)-one

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1C=CC2=NC3=CC=CC=C3C(=O)N21
InChI
InChI=1S/C11H8N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-6H,7H2
InChIKey
CHHBADVEMSBGFP-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 135.5
[M+Na]+ 207.05288 147.0
[M-H]- 183.05638 139.1
[M+NH4]+ 202.09748 156.9
[M+K]+ 223.02682 142.8
[M+H-H2O]+ 167.06092 128.3
[M+HCOO]- 229.06186 157.7
[M+CH3COO]- 243.07751 149.8
[M+Na-2H]- 205.03833 144.6
[M]+ 184.06311 137.0
[M]- 184.06421 137.0
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