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]+ 369.05898 182.1
[M+Na]+ 391.04092 189.6
[M-H]- 367.04442 189.6
[M+NH4]+ 386.08552 196.7
[M+K]+ 407.01486 183.0
[M+H-H2O]+ 351.04896 175.7
[M+HCOO]- 413.04990 192.6
[M+CH3COO]- 427.06555 220.2
[M+Na-2H]- 389.02637 181.7
[M]+ 368.05115 189.0
[M]- 368.05225 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.