CID 4984318

N-heptyl-1-naphthamide

Structural Information

Molecular Formula
C18H23NO
SMILES
CCCCCCCNC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H23NO/c1-2-3-4-5-8-14-19-18(20)17-13-9-11-15-10-6-7-12-16(15)17/h6-7,9-13H,2-5,8,14H2,1H3,(H,19,20)
InChIKey
FVOMEGYAIZUMMM-UHFFFAOYSA-N
Compound name
N-heptylnaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.9
[M+Na]+ 292.16720 170.9
[M-H]- 268.17070 169.4
[M+NH4]+ 287.21180 183.0
[M+K]+ 308.14114 166.4
[M+H-H2O]+ 252.17524 158.3
[M+HCOO]- 314.17618 187.7
[M+CH3COO]- 328.19183 203.2
[M+Na-2H]- 290.15265 170.9
[M]+ 269.17743 167.4
[M]- 269.17853 167.4
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.