CID 15003660

1,2,4triazolo1,5-cpyrimidine-2-sulfonamide, n-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-

Structural Information

Molecular Formula
C14H13Cl2N5O4S
SMILES
CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=N2)C=C(N=C3OC)OC)Cl
InChI
InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)13-17-9-6-10(24-2)18-14(25-3)21(9)19-13/h4-6,20H,1-3H3
InChIKey
YCAVTTFYAOQYCZ-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

417.00653 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.01381 190.4
[M+Na]+ 439.99575 204.3
[M-H]- 415.99925 194.7
[M+NH4]+ 435.04035 200.7
[M+K]+ 455.96969 198.4
[M+H-H2O]+ 400.00379 182.8
[M+HCOO]- 462.00473 196.9
[M+CH3COO]- 476.02038 221.0
[M+Na-2H]- 437.98120 193.3
[M]+ 417.00598 202.5
[M]- 417.00708 202.5
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

patents stripe