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
4
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 186.4
[M+Na]+ 420.05842 193.5
[M-H]- 396.06192 188.8
[M+NH4]+ 415.10302 192.2
[M+K]+ 436.03236 190.7
[M+H-H2O]+ 380.06646 177.0
[M+HCOO]- 442.06740 200.5
[M+CH3COO]- 456.08305 219.4
[M+Na-2H]- 418.04387 190.0
[M]+ 397.06865 192.0
[M]- 397.06975 192.0
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.