CID 3572767

763139-08-8

Structural Information

Molecular Formula
C25H28N2O2S
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NCC3=CC=CC=C3O
InChI
InChI=1S/C25H28N2O2S/c1-2-3-6-19-9-11-22(12-10-19)27-25(29)18-30-23-15-13-21(14-16-23)26-17-20-7-4-5-8-24(20)28/h4-5,7-16,26,28H,2-3,6,17-18H2,1H3,(H,27,29)
InChIKey
ZEIWYNNKHALKCG-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.18716 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19444 201.3
[M+Na]+ 443.17638 204.9
[M-H]- 419.17988 208.5
[M+NH4]+ 438.22098 210.2
[M+K]+ 459.15032 197.2
[M+H-H2O]+ 403.18442 191.2
[M+HCOO]- 465.18536 218.2
[M+CH3COO]- 479.20101 228.8
[M+Na-2H]- 441.16183 201.5
[M]+ 420.18661 203.0
[M]- 420.18771 203.0
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.