CID 458946

3',5'-dichloro-2'-hydroxy-3-metanilylamino-p-benzotoluidide

Structural Information

Molecular Formula
C20H17Cl2N3O4S
SMILES
CC1=C(C=C(C(=C1Cl)O)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)N)Cl
InChI
InChI=1S/C20H17Cl2N3O4S/c1-11-16(21)10-17(19(26)18(11)22)24-20(27)12-4-2-6-14(8-12)25-30(28,29)15-7-3-5-13(23)9-15/h2-10,25-26H,23H2,1H3,(H,24,27)
InChIKey
CRTHZGPMMJEOST-UHFFFAOYSA-N
Compound name
3-[(3-aminophenyl)sulfonylamino]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.03168 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.03896 203.2
[M+Na]+ 488.02090 211.6
[M-H]- 464.02440 211.6
[M+NH4]+ 483.06550 211.9
[M+K]+ 503.99484 204.2
[M+H-H2O]+ 448.02894 196.5
[M+HCOO]- 510.02988 211.9
[M+CH3COO]- 524.04553 234.0
[M+Na-2H]- 486.00635 203.9
[M]+ 465.03113 207.9
[M]- 465.03223 207.9
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.