CID 5136400

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

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1CC2=NC3=C(C=C(C=C3)N)C(=O)N2C1
InChI
InChI=1S/C11H11N3O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6H,1-2,5,12H2
InChIKey
MZDIDJBTSUNVDE-UHFFFAOYSA-N
Compound name
7-amino-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 141.3
[M+Na]+ 224.07943 154.6
[M+NH4]+ 219.12403 150.3
[M+K]+ 240.05337 149.6
[M-H]- 200.08293 143.7
[M+Na-2H]- 222.06488 146.7
[M]+ 201.08966 143.7
[M]- 201.09076 143.7
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.