CID 4657581

3-amino-n-ethyl-4-methoxy-n-phenylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N
InChI
InChI=1S/C15H18N2O3S/c1-3-17(12-7-5-4-6-8-12)21(18,19)13-9-10-15(20-2)14(16)11-13/h4-11H,3,16H2,1-2H3
InChIKey
MOGWGKUFKFLTKM-UHFFFAOYSA-N
Compound name
3-amino-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.10382 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 168.9
[M+Na]+ 329.09304 175.9
[M-H]- 305.09654 176.7
[M+NH4]+ 324.13764 183.9
[M+K]+ 345.06698 172.6
[M+H-H2O]+ 289.10108 160.7
[M+HCOO]- 351.10202 188.9
[M+CH3COO]- 365.11767 208.7
[M+Na-2H]- 327.07849 172.4
[M]+ 306.10327 172.3
[M]- 306.10437 172.3
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