CID 3039830

51308-75-9

Structural Information

Molecular Formula
C26H30N2S2
SMILES
CC(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SCC3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C26H30N2S2/c1-19(2)23-11-7-21(8-12-23)17-29-26(28-25-6-5-15-27-16-25)30-18-22-9-13-24(14-10-22)20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKey
WKSPJMUKEYTLGZ-UHFFFAOYSA-N
Compound name
1,1-bis[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.18503 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.19231 203.5
[M+Na]+ 457.17425 207.8
[M-H]- 433.17775 211.4
[M+NH4]+ 452.21885 212.6
[M+K]+ 473.14819 199.7
[M+H-H2O]+ 417.18229 193.2
[M+HCOO]- 479.18323 213.0
[M+CH3COO]- 493.19888 232.6
[M+Na-2H]- 455.15970 200.7
[M]+ 434.18448 206.6
[M]- 434.18558 206.6
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.