CID 136851379

Dtxsid601028720

Structural Information

Molecular Formula
C13H14ClN5O5S
SMILES
CC1=NC(=NC(=O)N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI
InChI=1S/C13H14ClN5O5S/c1-8-15-11(17-12(20)16-8)18-13(21)19-25(22,23)10-5-3-2-4-9(10)24-7-6-14/h2-5H,6-7H2,1H3,(H3,15,16,17,18,19,20,21)
InChIKey
PQLXDWXPUANMRC-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

387.0404 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.047676 181.7
[M+Na]+ 410.029618 190.0
[M-H]- 386.033124 184.0
[M+NH4]+ 405.074223 189.1
[M+K]+ 426.003558 184.0
[M+H-H2O]+ 370.037660 173.3
[M+HCOO]- 432.038601 192.4
[M+CH3COO]- 446.054251 213.7
[M+Na-2H]- 408.015066 186.5
[M]+ 387.03985142 186.6
[M]- 387.04094858 186.6
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.