CID 44152243

Benzenamine, 4-(methylthio)-n-(5-((4-(methylthio)phenyl)amino)-2,4-pentadienylidene)-, monohydrochloride

Structural Information

Molecular Formula
C19H20N2S2
SMILES
CSC1=CC=C(C=C1)N/C=C/C=C/C=NC2=CC=C(C=C2)SC
InChI
InChI=1S/C19H20N2S2/c1-22-18-10-6-16(7-11-18)20-14-4-3-5-15-21-17-8-12-19(23-2)13-9-17/h3-15,20H,1-2H3/b5-3+,14-4+,21-15?
InChIKey
XPKUGUKJYXWUMK-OLAOYSHYSA-N
Compound name
4-methylsulfanyl-N-[(1E,3E)-5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.10678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11406 177.6
[M+Na]+ 363.09600 184.2
[M-H]- 339.09950 184.4
[M+NH4]+ 358.14060 192.0
[M+K]+ 379.06994 175.1
[M+H-H2O]+ 323.10404 168.9
[M+HCOO]- 385.10498 193.3
[M+CH3COO]- 399.12063 215.0
[M+Na-2H]- 361.08145 178.4
[M]+ 340.10623 180.0
[M]- 340.10733 180.0
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.