CID 37571

36894-65-2

Structural Information

Molecular Formula
C26H40N2O2S2
SMILES
COC1=CC=C(C=C1)CCCCNCCSSCCNCCCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C26H40N2O2S2/c1-29-25-13-9-23(10-14-25)7-3-5-17-27-19-21-31-32-22-20-28-18-6-4-8-24-11-15-26(30-2)16-12-24/h9-16,27-28H,3-8,17-22H2,1-2H3
InChIKey
AUPHKBISQOOJLC-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-N-[2-[2-[4-(4-methoxyphenyl)butylamino]ethyldisulfanyl]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2531 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.26038 211.2
[M+Na]+ 499.24232 212.4
[M-H]- 475.24582 214.7
[M+NH4]+ 494.28692 219.1
[M+K]+ 515.21626 204.0
[M+H-H2O]+ 459.25036 200.7
[M+HCOO]- 521.25130 223.1
[M+CH3COO]- 535.26695 240.7
[M+Na-2H]- 497.22777 209.6
[M]+ 476.25255 219.1
[M]- 476.25365 219.1
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.