CID 1583954

303061-83-8

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCC(=O)NC(C1=CC=C(C=C1)OC)NC(=O)CCCC
InChI
InChI=1S/C18H28N2O3/c1-4-6-8-16(21)19-18(20-17(22)9-7-5-2)14-10-12-15(23-3)13-11-14/h10-13,18H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKey
VTHFPUYNOMRNTE-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 181.5
[M+Na]+ 343.199218 183.8
[M-H]- 319.202724 183.8
[M+NH4]+ 338.243823 194.9
[M+K]+ 359.173158 181.8
[M+H-H2O]+ 303.207260 173.2
[M+HCOO]- 365.208201 203.1
[M+CH3COO]- 379.223851 215.2
[M+Na-2H]- 341.184666 181.0
[M]+ 320.20945142 184.2
[M]- 320.21054858 184.2
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.