CID 204350

Bg 11 mv

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C16H24N2O2/c1-4-6-13(7-5-2)16(20)18-15-10-8-14(9-11-15)17-12(3)19/h8-11,13H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKey
VHHBDIBGICPZJD-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 169.6
[M+Na]+ 299.172998 173.0
[M-H]- 275.176504 172.4
[M+NH4]+ 294.217603 185.0
[M+K]+ 315.146938 170.8
[M+H-H2O]+ 259.181040 162.0
[M+HCOO]- 321.181981 191.7
[M+CH3COO]- 335.197631 207.1
[M+Na-2H]- 297.158446 170.1
[M]+ 276.18323142 170.3
[M]- 276.18432858 170.3
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.