CID 43605648

N-(2-amino-2-phenylethyl)-2,4-dimethylbenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N)C
InChI
InChI=1S/C16H20N2O2S/c1-12-8-9-16(13(2)10-12)21(19,20)18-11-15(17)14-6-4-3-5-7-14/h3-10,15,18H,11,17H2,1-2H3
InChIKey
FNPYSLCVXXGSRT-UHFFFAOYSA-N
Compound name
N-(2-amino-2-phenylethyl)-2,4-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.131816 169.7
[M+Na]+ 327.113758 176.1
[M-H]- 303.117264 175.9
[M+NH4]+ 322.158363 184.2
[M+K]+ 343.087698 171.0
[M+H-H2O]+ 287.121800 161.9
[M+HCOO]- 349.122741 187.7
[M+CH3COO]- 363.138391 207.2
[M+Na-2H]- 325.099206 172.2
[M]+ 304.12399142 170.3
[M]- 304.12508858 170.3
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

No patent data available for this compound.