CID 3601086

946387-07-1

Structural Information

Molecular Formula
C14H22Cl2N2O2S
SMILES
CC(C)NCCN(C(C)C)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKey
IHYZMEAZAIFMTN-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

13
Patents

352.0779 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08518 177.0
[M+Na]+ 375.06712 183.4
[M-H]- 351.07062 181.5
[M+NH4]+ 370.11172 192.2
[M+K]+ 391.04106 178.7
[M+H-H2O]+ 335.07516 172.1
[M+HCOO]- 397.07610 184.7
[M+CH3COO]- 411.09175 217.9
[M+Na-2H]- 373.05257 176.0
[M]+ 352.07735 184.1
[M]- 352.07845 184.1
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