CID 9047

Sulfalene

Structural Information

Molecular Formula
C11H12N4O3S
SMILES
COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChIKey
KXRZBTAEDBELFD-UHFFFAOYSA-N
Compound name
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

750
References

23429
Patents

280.06302 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07030 159.2
[M+Na]+ 303.05224 170.8
[M+NH4]+ 298.09684 165.2
[M+K]+ 319.02618 164.4
[M-H]- 279.05574 161.7
[M+Na-2H]- 301.03769 166.9
[M]+ 280.06247 161.8
[M]- 280.06357 161.8
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

patents stripe