CID 462578

Ro55615

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
COC1=NC=NC(=C1)N(OC)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N4O4S/c1-19-12-7-11(14-8-15-12)16(20-2)21(17,18)10-5-3-9(13)4-6-10/h3-8H,13H2,1-2H3
InChIKey
YCAMHBANNAHQCR-UHFFFAOYSA-N
Compound name
4-amino-N-methoxy-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.07358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 166.9
[M+Na]+ 333.06280 175.0
[M-H]- 309.06630 172.5
[M+NH4]+ 328.10740 178.9
[M+K]+ 349.03674 172.4
[M+H-H2O]+ 293.07084 157.7
[M+HCOO]- 355.07178 185.6
[M+CH3COO]- 369.08743 207.4
[M+Na-2H]- 331.04825 172.5
[M]+ 310.07303 171.6
[M]- 310.07413 171.6
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.