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]+ 326.19371 177.5
[M+Na]+ 348.17565 180.5
[M-H]- 324.17915 184.5
[M+NH4]+ 343.22025 192.9
[M+K]+ 364.14959 175.8
[M+H-H2O]+ 308.18369 168.8
[M+HCOO]- 370.18463 191.8
[M+CH3COO]- 384.20028 186.9
[M+Na-2H]- 346.16110 178.5
[M]+ 325.18588 177.4
[M]- 325.18698 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.