CID 135489577

3,4-dihydro-6-hydroxy-4-oxoquinazoline

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(C=C1O)C(=O)NC=N2
InChI
InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)
InChIKey
QJRNXXLTDWMENM-UHFFFAOYSA-N
Compound name
6-hydroxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

206
Patents

162.04292 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 129.5
[M+Na]+ 185.03214 140.1
[M-H]- 161.03564 129.5
[M+NH4]+ 180.07674 147.6
[M+K]+ 201.00608 135.9
[M+H-H2O]+ 145.04018 123.0
[M+HCOO]- 207.04112 149.3
[M+CH3COO]- 221.05677 142.7
[M+Na-2H]- 183.01759 139.2
[M]+ 162.04237 128.1
[M]- 162.04347 128.1
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