CID 1716361

129658-10-2

Structural Information

Molecular Formula
C15H25NO2S
SMILES
CCCCCSC1=C(C=C(C(=C1)OC)CCN)OC
InChI
InChI=1S/C15H25NO2S/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3/h10-11H,4-9,16H2,1-3H3
InChIKey
SPHRAOZAEYDNOD-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

283.1606 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16788 166.9
[M+Na]+ 306.14982 173.3
[M-H]- 282.15332 169.7
[M+NH4]+ 301.19442 183.4
[M+K]+ 322.12376 169.4
[M+H-H2O]+ 266.15786 159.7
[M+HCOO]- 328.15880 184.8
[M+CH3COO]- 342.17445 204.8
[M+Na-2H]- 304.13527 166.1
[M]+ 283.16005 173.2
[M]- 283.16115 173.2
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