CID 5128029

N,n-dimethyl-alpha-(4-(methylthio)phenylimino)-p-toluidine

Structural Information

Molecular Formula
C16H18N2S
SMILES
CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)SC
InChI
InChI=1S/C16H18N2S/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-12H,1-3H3
InChIKey
GRMXJEYHXLKFJH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(4-methylsulfanylphenyl)iminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.126356 162.1
[M+Na]+ 293.108298 169.2
[M-H]- 269.111804 171.6
[M+NH4]+ 288.152903 179.9
[M+K]+ 309.082238 165.3
[M+H-H2O]+ 253.116340 153.6
[M+HCOO]- 315.117281 184.7
[M+CH3COO]- 329.132931 208.2
[M+Na-2H]- 291.093746 165.3
[M]+ 270.11853142 165.7
[M]- 270.11962858 165.7
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.