CID 3039815

51308-59-9

Structural Information

Molecular Formula
C23H32N2S2
SMILES
CCC(C)(CC)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C23H32N2S2/c1-7-23(6,8-2)27-21(25-20-10-9-15-24-16-20)26-17-18-11-13-19(14-12-18)22(3,4)5/h9-16H,7-8,17H2,1-6H3
InChIKey
IKQLWDOBBHJGCZ-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-(3-methylpentan-3-ylsulfanyl)-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.20068 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.20796 198.2
[M+Na]+ 423.18990 202.9
[M-H]- 399.19340 203.3
[M+NH4]+ 418.23450 209.4
[M+K]+ 439.16384 196.0
[M+H-H2O]+ 383.19794 189.2
[M+HCOO]- 445.19888 206.4
[M+CH3COO]- 459.21453 225.6
[M+Na-2H]- 421.17535 198.1
[M]+ 400.20013 202.6
[M]- 400.20123 202.6
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.