CID 88427

4-amino-n-(3-(2-hydroxyethyl)sulfonylphenyl)benzamide

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)CCO)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O4S/c16-12-6-4-11(5-7-12)15(19)17-13-2-1-3-14(10-13)22(20,21)9-8-18/h1-7,10,18H,8-9,16H2,(H,17,19)
InChIKey
ZXRPDBDIBLUWFT-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(2-hydroxyethylsulfonyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

320.08307 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 171.0
[M+Na]+ 343.07229 177.1
[M-H]- 319.07579 175.9
[M+NH4]+ 338.11689 183.8
[M+K]+ 359.04623 172.2
[M+H-H2O]+ 303.08033 163.3
[M+HCOO]- 365.08127 188.4
[M+CH3COO]- 379.09692 204.9
[M+Na-2H]- 341.05774 174.0
[M]+ 320.08252 171.4
[M]- 320.08362 171.4
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