CID 16429177

Salor-int l442305-1ea

Structural Information

Molecular Formula
C35H43N3O2S2
SMILES
CCCCCCCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=C(C=C(C=C3)OCC=C)C)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C35H43N3O2S2/c1-4-6-7-8-9-10-11-12-13-17-22-37-34(39)32(42-35(37)41)25-28-26-38(29-18-15-14-16-19-29)36-33(28)31-21-20-30(24-27(31)3)40-23-5-2/h5,14-16,18-21,24-26H,2,4,6-13,17,22-23H2,1,3H3/b32-25-
InChIKey
RCOKTURCDKQJBI-MKCFTUBBSA-N
Compound name
(5Z)-3-dodecyl-5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.27966 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.28694 251.8
[M+Na]+ 624.26888 263.2
[M+NH4]+ 619.31348 256.3
[M+K]+ 640.24282 252.0
[M-H]- 600.27238 256.9
[M+Na-2H]- 622.25433 255.4
[M]+ 601.27911 255.7
[M]- 601.28021 255.7
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.