CID 12360756

1,2,3,4-tetrahydroquinazolin-2-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=CC=CC=C2NC(=O)N1
InChI
InChI=1S/C8H8N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H2,9,10,11)
InChIKey
CTOUNZIAEBIWAW-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2024
Patents

148.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 129.1
[M+Na]+ 171.052878 136.8
[M-H]- 147.056384 127.9
[M+NH4]+ 166.097483 147.3
[M+K]+ 187.026818 132.5
[M+H-H2O]+ 131.060920 122.5
[M+HCOO]- 193.061861 145.8
[M+CH3COO]- 207.077511 141.0
[M+Na-2H]- 169.038326 137.6
[M]+ 148.06311142 123.1
[M]- 148.06420858 123.1
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