CID 1414071

4-(methylamino)quinazoline-7-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CNC1=NC=NC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H9N3O2/c1-11-9-7-3-2-6(10(14)15)4-8(7)12-5-13-9/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKey
GQQZLSKOGOTHBN-UHFFFAOYSA-N
Compound name
4-(methylamino)quinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.5
[M+Na]+ 226.05869 150.5
[M-H]- 202.06219 142.6
[M+NH4]+ 221.10329 158.1
[M+K]+ 242.03263 147.2
[M+H-H2O]+ 186.06673 134.0
[M+HCOO]- 248.06767 162.2
[M+CH3COO]- 262.08332 186.0
[M+Na-2H]- 224.04414 150.0
[M]+ 203.06892 141.4
[M]- 203.07002 141.4
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

No patent data available for this compound.