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]+ 298.216536 176.1
[M+Na]+ 320.198478 179.6
[M-H]- 296.201984 179.2
[M+NH4]+ 315.243083 191.8
[M+K]+ 336.172418 175.6
[M+H-H2O]+ 280.206520 168.4
[M+HCOO]- 342.207461 195.1
[M+CH3COO]- 356.223111 210.9
[M+Na-2H]- 318.183926 177.4
[M]+ 297.20871142 176.9
[M]- 297.20980858 176.9
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.