CID 4101800

158111-00-3

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCCCCC(=O)NC(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C19H25NO/c1-3-4-5-6-14-19(21)20-15(2)17-13-9-11-16-10-7-8-12-18(16)17/h7-13,15H,3-6,14H2,1-2H3,(H,20,21)
InChIKey
BGEHENCXVAUKOA-UHFFFAOYSA-N
Compound name
N-(1-naphthalen-1-ylethyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 171.1
[M+Na]+ 306.18282 175.4
[M-H]- 282.18632 174.4
[M+NH4]+ 301.22742 187.6
[M+K]+ 322.15676 171.1
[M+H-H2O]+ 266.19086 163.5
[M+HCOO]- 328.19180 191.6
[M+CH3COO]- 342.20745 207.0
[M+Na-2H]- 304.16827 174.3
[M]+ 283.19305 172.3
[M]- 283.19415 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.