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]+ 264.039716 153.0
[M+Na]+ 286.021658 161.5
[M-H]- 262.025164 152.3
[M+NH4]+ 281.066263 164.7
[M+K]+ 301.995598 159.1
[M+H-H2O]+ 246.029700 145.3
[M+HCOO]- 308.030641 168.7
[M+CH3COO]- 322.046291 192.6
[M+Na-2H]- 284.007106 158.8
[M]+ 263.03189142 156.1
[M]- 263.03298858 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

literature stripe

Patent stripe

patents stripe