CID 1583954

N-((4-methoxyphenyl)(pentanoylamino)methyl)pentanamide

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]+ 321.21728 181.5
[M+Na]+ 343.19922 183.8
[M-H]- 319.20272 183.8
[M+NH4]+ 338.24382 194.9
[M+K]+ 359.17316 181.8
[M+H-H2O]+ 303.20726 173.2
[M+HCOO]- 365.20820 203.1
[M+CH3COO]- 379.22385 215.2
[M+Na-2H]- 341.18467 181.0
[M]+ 320.20945 184.2
[M]- 320.21055 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.