CID 169451461

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

Structural Information

Molecular Formula
C20H23NO2
SMILES
CC(C)(C)C#C/C=C/CNCC1=CC(=C(C2=CC=CC=C21)O)O
InChI
InChI=1S/C20H23NO2/c1-20(2,3)11-7-4-8-12-21-14-15-13-18(22)19(23)17-10-6-5-9-16(15)17/h4-6,8-10,13,21-23H,12,14H2,1-3H3/b8-4+
InChIKey
PQMBQNSIJJFKTL-XBXARRHUSA-N
Compound name
4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]methyl]naphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 177.4
[M+Na]+ 332.16210 188.5
[M+NH4]+ 327.20670 180.6
[M+K]+ 348.13604 178.2
[M-H]- 308.16560 170.8
[M+Na-2H]- 330.14755 178.4
[M]+ 309.17233 176.3
[M]- 309.17343 176.3
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.