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
2
Annotation Hits

0
References

15
Patents

320.08307 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.090346 171.0
[M+Na]+ 343.072288 177.1
[M-H]- 319.075794 175.9
[M+NH4]+ 338.116893 183.8
[M+K]+ 359.046228 172.2
[M+H-H2O]+ 303.080330 163.3
[M+HCOO]- 365.081271 188.4
[M+CH3COO]- 379.096921 204.9
[M+Na-2H]- 341.057736 174.0
[M]+ 320.08252142 171.4
[M]- 320.08361858 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