CID 3871796

765285-07-2

Structural Information

Molecular Formula
C23H22N2O2S
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)N=CC3=CC=CC=C3O)C
InChI
InChI=1S/C23H22N2O2S/c1-16-7-8-20(13-17(16)2)25-23(27)15-28-21-11-9-19(10-12-21)24-14-18-5-3-4-6-22(18)26/h3-14,26H,15H2,1-2H3,(H,25,27)
InChIKey
MCIAODXGSVFCRQ-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.1402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14748 194.1
[M+Na]+ 413.12942 200.3
[M-H]- 389.13292 203.6
[M+NH4]+ 408.17402 205.3
[M+K]+ 429.10336 193.3
[M+H-H2O]+ 373.13746 184.2
[M+HCOO]- 435.13840 213.3
[M+CH3COO]- 449.15405 225.1
[M+Na-2H]- 411.11487 194.7
[M]+ 390.13965 196.6
[M]- 390.14075 196.6
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

patents stripe