CID 13350048

N-(5,6-dimethoxy-4-pyrimidinyl)-4-(3,3-dimethyl-1-triazenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H18N6O4S
SMILES
CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OC)OC
InChI
InChI=1S/C14H18N6O4S/c1-20(2)19-17-10-5-7-11(8-6-10)25(21,22)18-13-12(23-3)14(24-4)16-9-15-13/h5-9H,1-4H3,(H,15,16,18)
InChIKey
UWMROBBBHLRJKF-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxypyrimidin-4-yl)-4-(dimethylaminodiazenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11102 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11830 181.9
[M+Na]+ 389.10024 189.2
[M-H]- 365.10374 190.5
[M+NH4]+ 384.14484 192.7
[M+K]+ 405.07418 187.6
[M+H-H2O]+ 349.10828 171.0
[M+HCOO]- 411.10922 205.4
[M+CH3COO]- 425.12487 228.9
[M+Na-2H]- 387.08569 189.1
[M]+ 366.11047 189.8
[M]- 366.11157 189.8
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.