CID 25219614

773877-46-6

Structural Information

Molecular Formula
C13H15N3O6S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)O)C(=O)N(C1=O)C
InChI
InChI=1S/C13H15N3O6S/c1-14(7-11(17)18)23(21,22)8-4-5-10-9(6-8)12(19)16(3)13(20)15(10)2/h4-6H,7H2,1-3H3,(H,17,18)
InChIKey
PNUVYRXYVAFPPG-UHFFFAOYSA-N
Compound name
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06815 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07543 173.7
[M+Na]+ 364.05737 184.3
[M+NH4]+ 359.10197 177.2
[M+K]+ 380.03131 180.3
[M-H]- 340.06087 171.8
[M+Na-2H]- 362.04282 176.0
[M]+ 341.06760 174.7
[M]- 341.06870 174.7
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.