CID 5200220

2-amino-7,8-dihydro-5(6h)-quinazolinone

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

25
Patents

163.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.3
[M+Na]+ 186.063768 140.9
[M-H]- 162.067274 133.7
[M+NH4]+ 181.108373 151.0
[M+K]+ 202.037708 138.0
[M+H-H2O]+ 146.071810 125.0
[M+HCOO]- 208.072751 152.4
[M+CH3COO]- 222.088401 179.4
[M+Na-2H]- 184.049216 140.3
[M]+ 163.07400142 128.6
[M]- 163.07509858 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