CID 20243395

Schembl10858218

Structural Information

Molecular Formula
C6H9N5O5S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)O
InChI
InChI=1S/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)
InChIKey
QCPRWOPLBQCYSU-UHFFFAOYSA-N
Compound name
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

263.03244 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03972 153.0
[M+Na]+ 286.02166 161.5
[M-H]- 262.02516 152.3
[M+NH4]+ 281.06626 164.7
[M+K]+ 301.99560 159.1
[M+H-H2O]+ 246.02970 145.3
[M+HCOO]- 308.03064 168.7
[M+CH3COO]- 322.04629 192.6
[M+Na-2H]- 284.00711 158.8
[M]+ 263.03189 156.1
[M]- 263.03299 156.1
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.