CID 59317

102373-27-3

Structural Information

Molecular Formula
C21H27NS
SMILES
CN(C)CCSC(C1=CC=CC=C1)C2=CC3=C(CCCC3)C=C2
InChI
InChI=1S/C21H27NS/c1-22(2)14-15-23-21(18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)16-20/h3-5,9-10,12-13,16,21H,6-8,11,14-15H2,1-2H3
InChIKey
HKPZGUGYJXQMBJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18643 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.193706 177.5
[M+Na]+ 348.175648 180.5
[M-H]- 324.179154 184.5
[M+NH4]+ 343.220253 192.9
[M+K]+ 364.149588 175.8
[M+H-H2O]+ 308.183690 168.8
[M+HCOO]- 370.184631 191.8
[M+CH3COO]- 384.200281 186.9
[M+Na-2H]- 346.161096 178.5
[M]+ 325.18588142 177.4
[M]- 325.18697858 177.4
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.