CID 3040314

52030-13-4

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCC(CCC)C(C)NC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H27NO/c1-4-9-16(10-5-2)15(3)21-20(22)19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-16H,4-5,9-10H2,1-3H3,(H,21,22)
InChIKey
LGJVCNNXMVSGAN-UHFFFAOYSA-N
Compound name
N-(3-propylhexan-2-yl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.2
[M+Na]+ 320.19848 186.6
[M+NH4]+ 315.24308 183.3
[M+K]+ 336.17242 178.8
[M-H]- 296.20198 178.4
[M+Na-2H]- 318.18393 180.5
[M]+ 297.20871 177.7
[M]- 297.20981 177.7
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.