CID 4984808

763125-55-9

Structural Information

Molecular Formula
C20H17Cl2NOS
SMILES
C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H17Cl2NOS/c21-16-6-5-15(19(22)11-16)13-25-18-9-7-17(8-10-18)23-12-14-3-1-2-4-20(14)24/h1-11,23-24H,12-13H2
InChIKey
JNZUBSDEPJUDBZ-UHFFFAOYSA-N
Compound name
2-[[4-[(2,4-dichlorophenyl)methylsulfanyl]anilino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0408 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04808 185.4
[M+Na]+ 412.03002 194.3
[M-H]- 388.03352 193.2
[M+NH4]+ 407.07462 198.1
[M+K]+ 428.00396 184.9
[M+H-H2O]+ 372.03806 178.5
[M+HCOO]- 434.03900 194.2
[M+CH3COO]- 448.05465 195.3
[M+Na-2H]- 410.01547 186.3
[M]+ 389.04025 190.3
[M]- 389.04135 190.3
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.