CID 10242

3-hydroxy-2,3-dihydro-1h-pyrrolo[2,1-b]quinazolin-9-one

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CN2C(=NC3=CC=CC=C3C2=O)C1O
InChI
InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2
InChIKey
SDIVYZXRQHWCKF-UHFFFAOYSA-N
Compound name
3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

49
References

126
Patents

202.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 140.6
[M+Na]+ 225.063448 151.4
[M-H]- 201.066954 142.8
[M+NH4]+ 220.108053 160.7
[M+K]+ 241.037388 147.1
[M+H-H2O]+ 185.071490 133.8
[M+HCOO]- 247.072431 160.0
[M+CH3COO]- 261.088081 153.8
[M+Na-2H]- 223.048896 147.6
[M]+ 202.07368142 140.7
[M]- 202.07477858 140.7
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