CID 25219614

2-(n-methyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetic acid

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 170.8
[M+Na]+ 364.05737 181.0
[M-H]- 340.06087 173.8
[M+NH4]+ 359.10197 183.0
[M+K]+ 380.03131 178.4
[M+H-H2O]+ 324.06541 163.7
[M+HCOO]- 386.06635 185.2
[M+CH3COO]- 400.08200 212.4
[M+Na-2H]- 362.04282 174.3
[M]+ 341.06760 178.6
[M]- 341.06870 178.6
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.