CID 25217

10381-05-2

Structural Information

Molecular Formula
C21H19Cl2NOS2
SMILES
COC1=CC=C(C=C1)N(CSC2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H19Cl2NOS2/c1-25-19-8-6-18(7-9-19)24(14-26-20-10-2-16(22)3-11-20)15-27-21-12-4-17(23)5-13-21/h2-13H,14-15H2,1H3
InChIKey
UPHJDHFFBCOOGC-UHFFFAOYSA-N
Compound name
N,N-bis[(4-chlorophenyl)sulfanylmethyl]-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

435.0285 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03578 193.1
[M+Na]+ 458.01772 201.2
[M-H]- 434.02122 203.0
[M+NH4]+ 453.06232 205.3
[M+K]+ 473.99166 192.8
[M+H-H2O]+ 418.02576 185.9
[M+HCOO]- 480.02670 198.4
[M+CH3COO]- 494.04235 202.6
[M+Na-2H]- 456.00317 192.9
[M]+ 435.02795 201.5
[M]- 435.02905 201.5
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

patents stripe