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]+ 314.211476 176.4
[M+Na]+ 336.193418 178.9
[M-H]- 312.196924 180.8
[M+NH4]+ 331.238023 192.2
[M+K]+ 352.167358 174.5
[M+H-H2O]+ 296.201460 168.1
[M+HCOO]- 358.202401 193.1
[M+CH3COO]- 372.218051 206.7
[M+Na-2H]- 334.178866 180.5
[M]+ 313.20365142 172.3
[M]- 313.20474858 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.