CID 1414070

4-aminoquinazoline-7-carboxylic acid

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC2=C(C=C1C(=O)O)N=CN=C2N
InChI
InChI=1S/C9H7N3O2/c10-8-6-2-1-5(9(13)14)3-7(6)11-4-12-8/h1-4H,(H,13,14)(H2,10,11,12)
InChIKey
LLWPSTZOWBGKFK-UHFFFAOYSA-N
Compound name
4-aminoquinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 137.6
[M+Na]+ 212.04305 147.0
[M-H]- 188.04655 138.3
[M+NH4]+ 207.08765 154.5
[M+K]+ 228.01699 143.6
[M+H-H2O]+ 172.05109 130.3
[M+HCOO]- 234.05203 158.0
[M+CH3COO]- 248.06768 182.4
[M+Na-2H]- 210.02850 145.5
[M]+ 189.05328 136.1
[M]- 189.05438 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

No literature data available for this compound.

Patent stripe

patents stripe