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]+ 234.08733 148.1
[M+Na]+ 256.06927 156.6
[M-H]- 232.07277 148.9
[M+NH4]+ 251.11387 163.2
[M+K]+ 272.04321 153.1
[M+H-H2O]+ 216.07731 140.1
[M+HCOO]- 278.07825 168.7
[M+CH3COO]- 292.09390 190.5
[M+Na-2H]- 254.05472 156.0
[M]+ 233.07950 149.0
[M]- 233.08060 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.