CID 3076143

130260-25-2

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC1(CCCCC1)NCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H27NO2/c1-20(12-5-2-6-13-20)21-14-17(22)15-23-19-11-7-9-16-8-3-4-10-18(16)19/h3-4,7-11,17,21-22H,2,5-6,12-15H2,1H3
InChIKey
NUYIHDCDWNKPKA-UHFFFAOYSA-N
Compound name
1-[(1-methylcyclohexyl)amino]-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 176.4
[M+Na]+ 336.19342 178.9
[M-H]- 312.19692 180.8
[M+NH4]+ 331.23802 192.2
[M+K]+ 352.16736 174.5
[M+H-H2O]+ 296.20146 168.1
[M+HCOO]- 358.20240 193.1
[M+CH3COO]- 372.21805 206.7
[M+Na-2H]- 334.17887 180.5
[M]+ 313.20365 172.3
[M]- 313.20475 172.3
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.