CID 57415921

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1C2=C(C=C(C=C2)N)NC(=O)N1
InChI
InChI=1S/C8H9N3O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4,9H2,(H2,10,11,12)
InChIKey
QKIGVMPBZNAVLT-UHFFFAOYSA-N
Compound name
7-amino-3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 133.3
[M+Na]+ 186.063768 141.2
[M-H]- 162.067274 132.0
[M+NH4]+ 181.108373 150.6
[M+K]+ 202.037708 136.5
[M+H-H2O]+ 146.071810 126.7
[M+HCOO]- 208.072751 150.4
[M+CH3COO]- 222.088401 144.8
[M+Na-2H]- 184.049216 140.4
[M]+ 163.07400142 126.0
[M]- 163.07509858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe