CID 3058373

75159-45-4

Structural Information

Molecular Formula
C11H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNCC(=O)O
InChI
InChI=1S/C11H11N3O3/c15-10(16)5-12-6-14-7-13-9-4-2-1-3-8(9)11(14)17/h1-4,7,12H,5-6H2,(H,15,16)
InChIKey
QPCUBTMFBNGLCI-UHFFFAOYSA-N
Compound name
2-[(4-oxoquinazolin-3-yl)methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.087326 148.1
[M+Na]+ 256.069268 156.6
[M-H]- 232.072774 148.9
[M+NH4]+ 251.113873 163.2
[M+K]+ 272.043208 153.1
[M+H-H2O]+ 216.077310 140.1
[M+HCOO]- 278.078251 168.7
[M+CH3COO]- 292.093901 190.5
[M+Na-2H]- 254.054716 156.0
[M]+ 233.07950142 149.0
[M]- 233.08059858 149.0
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.