CID 19390575

2-aminoquinazoline-4-carboxylic acid

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)N)C(=O)O
InChI
InChI=1S/C9H7N3O2/c10-9-11-6-4-2-1-3-5(6)7(12-9)8(13)14/h1-4H,(H,13,14)(H2,10,11,12)
InChIKey
JRGBSVQGSBEEEU-UHFFFAOYSA-N
Compound name
2-aminoquinazoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

189.05383 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.061106 137.6
[M+Na]+ 212.043048 147.0
[M-H]- 188.046554 138.3
[M+NH4]+ 207.087653 154.5
[M+K]+ 228.016988 143.6
[M+H-H2O]+ 172.051090 130.3
[M+HCOO]- 234.052031 158.0
[M+CH3COO]- 248.067681 182.4
[M+Na-2H]- 210.028496 145.5
[M]+ 189.05328142 136.1
[M]- 189.05437858 136.1
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