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

6
Patents

163.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 133.3
[M+Na]+ 186.06377 141.2
[M-H]- 162.06727 132.0
[M+NH4]+ 181.10837 150.6
[M+K]+ 202.03771 136.5
[M+H-H2O]+ 146.07181 126.7
[M+HCOO]- 208.07275 150.4
[M+CH3COO]- 222.08840 144.8
[M+Na-2H]- 184.04922 140.4
[M]+ 163.07400 126.0
[M]- 163.07510 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