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

413
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

literature stripe

Patent stripe

patents stripe