CID 43153417

3-amino-4-[(2-methoxyethyl)amino]benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H15N3O3S
SMILES
COCCNC1=C(C=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C9H15N3O3S/c1-15-5-4-12-9-3-2-7(6-8(9)10)16(11,13)14/h2-3,6,12H,4-5,10H2,1H3,(H2,11,13,14)
InChIKey
WJGQHHBNHLGAQN-UHFFFAOYSA-N
Compound name
3-amino-4-(2-methoxyethylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.08342 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09070 150.7
[M+Na]+ 268.07264 157.7
[M-H]- 244.07614 153.5
[M+NH4]+ 263.11724 167.1
[M+K]+ 284.04658 154.3
[M+H-H2O]+ 228.08068 143.8
[M+HCOO]- 290.08162 170.8
[M+CH3COO]- 304.09727 196.4
[M+Na-2H]- 266.05809 154.4
[M]+ 245.08287 151.3
[M]- 245.08397 151.3
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