CID 3080294

N-methyl-2-(2,5-dimethoxyphenylthio)benzylamine maleate

Structural Information

Molecular Formula
C16H19NO2S
SMILES
CNCC1=CC=CC=C1SC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H19NO2S/c1-17-11-12-6-4-5-7-15(12)20-16-10-13(18-2)8-9-14(16)19-3/h4-10,17H,11H2,1-3H3
InChIKey
TTZZBTCARRPWSD-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.11365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 165.3
[M+Na]+ 312.10287 173.0
[M-H]- 288.10637 172.3
[M+NH4]+ 307.14747 181.6
[M+K]+ 328.07681 168.6
[M+H-H2O]+ 272.11091 157.4
[M+HCOO]- 334.11185 185.3
[M+CH3COO]- 348.12750 204.0
[M+Na-2H]- 310.08832 167.8
[M]+ 289.11310 170.6
[M]- 289.11420 170.6
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

patents stripe