CID 60574

Alentemol

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCN(CCC)C1CC2=CC=CC3=CC(=CC(=C23)C1)O
InChI
InChI=1S/C19H25NO/c1-3-8-20(9-4-2)17-10-14-6-5-7-15-12-18(21)13-16(11-17)19(14)15/h5-7,12-13,17,21H,3-4,8-11H2,1-2H3
InChIKey
TWUJBHBRYYTEDL-UHFFFAOYSA-N
Compound name
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2483
Patents

283.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.200876 169.2
[M+Na]+ 306.182818 174.4
[M-H]- 282.186324 172.9
[M+NH4]+ 301.227423 187.3
[M+K]+ 322.156758 170.1
[M+H-H2O]+ 266.190860 161.6
[M+HCOO]- 328.191801 187.3
[M+CH3COO]- 342.207451 209.5
[M+Na-2H]- 304.168266 173.7
[M]+ 283.19305142 170.2
[M]- 283.19414858 170.2
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

No patent data available for this compound.