CID 38172

38920-77-3

Structural Information

Molecular Formula
C26H40N2O4S2
SMILES
COC1=CC=C(C=C1)OCCCCNCCSSCCNCCCCOC2=CC=C(C=C2)OC
InChI
InChI=1S/C26H40N2O4S2/c1-29-23-7-11-25(12-8-23)31-19-5-3-15-27-17-21-33-34-22-18-28-16-4-6-20-32-26-13-9-24(30-2)10-14-26/h7-14,27-28H,3-6,15-22H2,1-2H3
InChIKey
WRXWLMQCUNKALJ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenoxy)-N-[2-[2-[4-(4-methoxyphenoxy)butylamino]ethyldisulfanyl]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.24295 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25023 217.1
[M+Na]+ 531.23217 217.5
[M-H]- 507.23567 220.3
[M+NH4]+ 526.27677 223.3
[M+K]+ 547.20611 210.4
[M+H-H2O]+ 491.24021 206.1
[M+HCOO]- 553.24115 229.4
[M+CH3COO]- 567.25680 244.5
[M+Na-2H]- 529.21762 216.2
[M]+ 508.24240 227.5
[M]- 508.24350 227.5
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.