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

8
Patents

245.08342 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.090696 150.7
[M+Na]+ 268.072638 157.7
[M-H]- 244.076144 153.5
[M+NH4]+ 263.117243 167.1
[M+K]+ 284.046578 154.3
[M+H-H2O]+ 228.080680 143.8
[M+HCOO]- 290.081621 170.8
[M+CH3COO]- 304.097271 196.4
[M+Na-2H]- 266.058086 154.4
[M]+ 245.08287142 151.3
[M]- 245.08396858 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