CID 458887

Schembl483246

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
C1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N2O3S/c15-12-6-8-14(9-7-12)20(18,19)16(10-11-17)13-4-2-1-3-5-13/h1-9,17H,10-11,15H2
InChIKey
AMQKYRHWWGGDOI-UHFFFAOYSA-N
Compound name
4-amino-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

292.08817 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09545 164.1
[M+Na]+ 315.07739 170.3
[M-H]- 291.08089 170.3
[M+NH4]+ 310.12199 178.7
[M+K]+ 331.05133 166.2
[M+H-H2O]+ 275.08543 156.3
[M+HCOO]- 337.08637 183.0
[M+CH3COO]- 351.10202 202.2
[M+Na-2H]- 313.06284 168.4
[M]+ 292.08762 165.0
[M]- 292.08872 165.0
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