CID 15979284

Hpn-01

Structural Information

Molecular Formula
C19H16ClN3O3S
SMILES
C1=CC(=CC=C1C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)N)N)S(=O)(=O)N
InChI
InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)
InChIKey
XJLFMRGTLRIXDT-UHFFFAOYSA-N
Compound name
2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

401.0601 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06738 192.2
[M+Na]+ 424.04932 200.8
[M-H]- 400.05282 201.2
[M+NH4]+ 419.09392 202.8
[M+K]+ 440.02326 193.3
[M+H-H2O]+ 384.05736 184.4
[M+HCOO]- 446.05830 206.1
[M+CH3COO]- 460.07395 225.5
[M+Na-2H]- 422.03477 192.5
[M]+ 401.05955 193.1
[M]- 401.06065 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe