CID 353973

Nsc603624

Structural Information

Molecular Formula
C19H20Cl2N6O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(N(C(=N2)N)C3=CC(=C(C=C3)Cl)Cl)(C)C
InChI
InChI=1S/C19H20Cl2N6O3S/c1-11-4-7-13(8-5-11)31(29,30)26-18(28)24-17-23-16(22)27(19(2,3)25-17)12-6-9-14(20)15(21)10-12/h4-10H,1-3H3,(H4,22,23,24,25,26,28)
InChIKey
JKBAKQRRBSSBIQ-UHFFFAOYSA-N
Compound name
1-[6-amino-5-(3,4-dichlorophenyl)-4,4-dimethyl-1,3,5-triazin-2-yl]-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

482.06946 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.07674 206.4
[M+Na]+ 505.05868 215.8
[M-H]- 481.06218 212.3
[M+NH4]+ 500.10328 213.2
[M+K]+ 521.03262 208.7
[M+H-H2O]+ 465.06672 198.2
[M+HCOO]- 527.06766 211.4
[M+CH3COO]- 541.08331 237.4
[M+Na-2H]- 503.04413 209.0
[M]+ 482.06891 210.8
[M]- 482.07001 210.8
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.