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

2464
Patents

283.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 169.2
[M+Na]+ 306.18282 174.4
[M-H]- 282.18632 172.9
[M+NH4]+ 301.22742 187.3
[M+K]+ 322.15676 170.1
[M+H-H2O]+ 266.19086 161.6
[M+HCOO]- 328.19180 187.3
[M+CH3COO]- 342.20745 209.5
[M+Na-2H]- 304.16827 173.7
[M]+ 283.19305 170.2
[M]- 283.19415 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.