CID 169451567

5-[[[(e)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]naphthalene-1,2-diol

Structural Information

Molecular Formula
C21H25NO2
SMILES
CC(C)(C)C#C/C=C/CN(C)CC1=C2C=CC(=C(C2=CC=C1)O)O
InChI
InChI=1S/C21H25NO2/c1-21(2,3)13-6-5-7-14-22(4)15-16-9-8-10-18-17(16)11-12-19(23)20(18)24/h5,7-12,23-24H,14-15H2,1-4H3/b7-5+
InChIKey
OZUIZHMLRLTKOH-FNORWQNLSA-N
Compound name
5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]naphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.5
[M+Na]+ 346.17776 191.6
[M+NH4]+ 341.22236 183.8
[M+K]+ 362.15170 181.5
[M-H]- 322.18126 174.2
[M+Na-2H]- 344.16321 181.5
[M]+ 323.18799 179.5
[M]- 323.18909 179.5
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.