CID 214459

Brn 1015311

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(C2=CC=CC=C2)O
InChI
InChI=1S/C15H18N2O3S/c1-17(2)21(19,20)12-8-9-14(16)13(10-12)15(18)11-6-4-3-5-7-11/h3-10,15,18H,16H2,1-2H3
InChIKey
CMQMGQUTWAPHIT-UHFFFAOYSA-N
Compound name
4-amino-3-[hydroxy(phenyl)methyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 168.5
[M+Na]+ 329.09304 174.7
[M-H]- 305.09654 174.9
[M+NH4]+ 324.13764 182.7
[M+K]+ 345.06698 171.2
[M+H-H2O]+ 289.10108 160.8
[M+HCOO]- 351.10202 186.0
[M+CH3COO]- 365.11767 207.3
[M+Na-2H]- 327.07849 170.6
[M]+ 306.10327 169.6
[M]- 306.10437 169.6
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.