CID 6452074

47003-30-5

Structural Information

Molecular Formula
C15H18N2S2
SMILES
CSC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)SC)N
InChI
InChI=1S/C15H18N2S2/c1-18-14-8-10(3-5-12(14)16)7-11-4-6-13(17)15(9-11)19-2/h3-6,8-9H,7,16-17H2,1-2H3
InChIKey
XRKGCGRPZUUQRR-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylsulfanylphenyl)methyl]-2-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

290.09116 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.098436 161.7
[M+Na]+ 313.080378 170.1
[M-H]- 289.083884 167.3
[M+NH4]+ 308.124983 177.5
[M+K]+ 329.054318 162.2
[M+H-H2O]+ 273.088420 154.4
[M+HCOO]- 335.089361 175.3
[M+CH3COO]- 349.105011 206.3
[M+Na-2H]- 311.065826 161.0
[M]+ 290.09061142 162.2
[M]- 290.09170858 162.2
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

patents stripe