CID 5200220

2-amino-5,6,7,8-tetrahydroquinazolin-5-one

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CC2=NC(=NC=C2C(=O)C1)N
InChI
InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
InChIKey
ZXWJMLMXKMSYTP-UHFFFAOYSA-N
Compound name
2-amino-7,8-dihydro-6H-quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

163.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 132.3
[M+Na]+ 186.06377 140.9
[M-H]- 162.06727 133.7
[M+NH4]+ 181.10837 151.0
[M+K]+ 202.03771 138.0
[M+H-H2O]+ 146.07181 125.0
[M+HCOO]- 208.07275 152.4
[M+CH3COO]- 222.08840 179.4
[M+Na-2H]- 184.04922 140.3
[M]+ 163.07400 128.6
[M]- 163.07510 128.6
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