CID 1240

87857-27-0

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCN(CCC1=CC=CC=C1)C2CCC3=C(C2)C=CC=C3O
InChI
InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
InChIKey
DEYFWGXTPWNADC-UHFFFAOYSA-N
Compound name
6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

370
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 176.0
[M+Na]+ 332.19848 179.4
[M-H]- 308.20198 182.0
[M+NH4]+ 327.24308 191.0
[M+K]+ 348.17242 174.6
[M+H-H2O]+ 292.20652 167.1
[M+HCOO]- 354.20746 195.0
[M+CH3COO]- 368.22311 211.3
[M+Na-2H]- 330.18393 179.1
[M]+ 309.20871 174.0
[M]- 309.20981 174.0
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.