CID 112876

Butanamide, 2-(3-pentadecylphenoxy)-

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)N
InChI
InChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3,(H2,26,27)
InChIKey
YFVJCMFQEOHVMO-UHFFFAOYSA-N
Compound name
2-(3-pentadecylphenoxy)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

389.32938 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 207.3
[M+Na]+ 412.31860 207.5
[M-H]- 388.32210 207.6
[M+NH4]+ 407.36320 218.1
[M+K]+ 428.29254 202.7
[M+H-H2O]+ 372.32664 198.2
[M+HCOO]- 434.32758 225.4
[M+CH3COO]- 448.34323 229.4
[M+Na-2H]- 410.30405 202.9
[M]+ 389.32883 212.5
[M]- 389.32993 212.5
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

patents stripe