CID 4992115

3-amino-n,n-diethyl-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N
InChI
InChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5,12H2,1-3H3
InChIKey
URPZZPGQCSFZLH-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.1089 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116176 153.2
[M+Na]+ 265.098118 160.7
[M-H]- 241.101624 158.1
[M+NH4]+ 260.142723 171.4
[M+K]+ 281.072058 158.2
[M+H-H2O]+ 225.106160 146.6
[M+HCOO]- 287.107101 172.6
[M+CH3COO]- 301.122751 198.8
[M+Na-2H]- 263.083566 155.6
[M]+ 242.10835142 156.3
[M]- 242.10944858 156.3
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