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]+ 202.097486 140.8
[M+Na]+ 224.079428 151.4
[M-H]- 200.082934 143.8
[M+NH4]+ 219.124033 161.1
[M+K]+ 240.053368 146.9
[M+H-H2O]+ 184.087470 133.6
[M+HCOO]- 246.088411 162.0
[M+CH3COO]- 260.104061 154.1
[M+Na-2H]- 222.064876 147.8
[M]+ 201.08966142 139.7
[M]- 201.09075858 139.7
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.