CID 4586808

763124-66-9

Structural Information

Molecular Formula
C22H22N2O2S
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2NCC3=CC=CC=C3O
InChI
InChI=1S/C22H22N2O2S/c1-16-10-12-18(13-11-16)24-22(26)15-27-21-9-5-3-7-19(21)23-14-17-6-2-4-8-20(17)25/h2-13,23,25H,14-15H2,1H3,(H,24,26)
InChIKey
HZYRQIVIBARJQV-UHFFFAOYSA-N
Compound name
2-[2-[(2-hydroxyphenyl)methylamino]phenyl]sulfanyl-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1402 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14748 190.1
[M+Na]+ 401.12942 203.5
[M+NH4]+ 396.17402 198.0
[M+K]+ 417.10336 192.9
[M-H]- 377.13292 197.6
[M+Na-2H]- 399.11487 200.2
[M]+ 378.13965 194.7
[M]- 378.14075 194.7
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.