CID 6422463

1-methoxy-4-({[(4-methoxyphenyl)methyl]disulfanyl}methyl)benzene

Structural Information

Molecular Formula
C16H18O2S2
SMILES
COC1=CC=C(C=C1)CSSCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H18O2S2/c1-17-15-7-3-13(4-8-15)11-19-20-12-14-5-9-16(18-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
LNAZHVACIOCJFA-UHFFFAOYSA-N
Compound name
1-methoxy-4-[[(4-methoxyphenyl)methyldisulfanyl]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

306.07483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08211 166.3
[M+Na]+ 329.06405 174.1
[M-H]- 305.06755 172.7
[M+NH4]+ 324.10865 182.2
[M+K]+ 345.03799 168.4
[M+H-H2O]+ 289.07209 158.8
[M+HCOO]- 351.07303 179.9
[M+CH3COO]- 365.08868 202.4
[M+Na-2H]- 327.04950 167.2
[M]+ 306.07428 172.6
[M]- 306.07538 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe