CID 4586810

765285-01-6

Structural Information

Molecular Formula
C25H26N2O2S
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2N=CC3=CC=CC=C3O
InChI
InChI=1S/C25H26N2O2S/c1-2-3-8-19-13-15-21(16-14-19)27-25(29)18-30-24-12-7-5-10-22(24)26-17-20-9-4-6-11-23(20)28/h4-7,9-17,28H,2-3,8,18H2,1H3,(H,27,29)
InChIKey
ILVBHHBDOIUACM-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.1715 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17878 202.7
[M+Na]+ 441.16072 216.0
[M+NH4]+ 436.20532 210.1
[M+K]+ 457.13466 204.3
[M-H]- 417.16422 210.3
[M+Na-2H]- 439.14617 212.5
[M]+ 418.17095 207.2
[M]- 418.17205 207.2
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