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 188.8
[M+Na]+ 401.12942 193.8
[M-H]- 377.13292 196.7
[M+NH4]+ 396.17402 199.5
[M+K]+ 417.10336 186.7
[M+H-H2O]+ 361.13746 179.3
[M+HCOO]- 423.13840 206.8
[M+CH3COO]- 437.15405 220.0
[M+Na-2H]- 399.11487 190.4
[M]+ 378.13965 189.6
[M]- 378.14075 189.6
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.