CID 6918649

Sb-399885

Structural Information

Molecular Formula
C18H21Cl2N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)Cl)Cl)OC)N3CCNCC3
InChI
InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
InChIKey
ATKZKAYWARYLBW-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

74
Patents

445.063 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07028 196.6
[M+Na]+ 468.05222 203.8
[M-H]- 444.05572 201.7
[M+NH4]+ 463.09682 204.0
[M+K]+ 484.02616 197.0
[M+H-H2O]+ 428.06026 188.4
[M+HCOO]- 490.06120 198.6
[M+CH3COO]- 504.07685 223.6
[M+Na-2H]- 466.03767 196.9
[M]+ 445.06245 200.0
[M]- 445.06355 200.0
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