CID 3048651

Usaf ab-68

Structural Information

Molecular Formula
C17H18Cl2N2OS
SMILES
CN(C)CCC(=O)NC1=C(C=C(C=C1)Cl)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18Cl2N2OS/c1-21(2)10-9-17(22)20-15-8-5-13(19)11-16(15)23-14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKey
IYBPCWPWORICBI-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0517 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.058976 182.1
[M+Na]+ 391.040918 189.6
[M-H]- 367.044424 189.6
[M+NH4]+ 386.085523 196.7
[M+K]+ 407.014858 183.0
[M+H-H2O]+ 351.048960 175.7
[M+HCOO]- 413.049901 192.6
[M+CH3COO]- 427.065551 220.2
[M+Na-2H]- 389.026366 181.7
[M]+ 368.05115142 189.0
[M]- 368.05224858 189.0
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.