CID 190369

102394-28-5

Structural Information

Molecular Formula
C14H15N5O7S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)O)C(=O)OC
InChI
InChI=1S/C14H15N5O7S/c1-7-15-12(18-14(16-7)26-3)17-13(22)19-27(23,24)10-6-8(20)4-5-9(10)11(21)25-2/h4-6,20H,1-3H3,(H2,15,16,17,18,19,22)
InChIKey
YDQFJWNPRLHOFT-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

397.0692 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07648 185.9
[M+Na]+ 420.05842 194.3
[M+NH4]+ 415.10302 187.1
[M+K]+ 436.03236 191.9
[M-H]- 396.06192 184.3
[M+Na-2H]- 418.04387 189.4
[M]+ 397.06865 186.4
[M]- 397.06975 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.