CID 3019619

N-(4-dodecylphenyl)-3-oxobutyramide

Structural Information

Molecular Formula
C22H35NO2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C22H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)23-22(25)18-19(2)24/h14-17H,3-13,18H2,1-2H3,(H,23,25)
InChIKey
NRRVZLFVFLROGI-UHFFFAOYSA-N
Compound name
N-(4-dodecylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

345.26678 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.27406 191.5
[M+Na]+ 368.25600 200.3
[M+NH4]+ 363.30060 197.0
[M+K]+ 384.22994 192.2
[M-H]- 344.25950 192.7
[M+Na-2H]- 366.24145 194.4
[M]+ 345.26623 192.8
[M]- 345.26733 192.8
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