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 192.2
[M+Na]+ 368.25600 194.1
[M-H]- 344.25950 193.7
[M+NH4]+ 363.30060 205.1
[M+K]+ 384.22994 189.8
[M+H-H2O]+ 328.26404 183.8
[M+HCOO]- 390.26498 212.2
[M+CH3COO]- 404.28063 219.7
[M+Na-2H]- 366.24145 190.5
[M]+ 345.26623 196.5
[M]- 345.26733 196.5
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