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
2
Annotation Hits

0
References

5
Patents

345.26678 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.274056 192.2
[M+Na]+ 368.255998 194.1
[M-H]- 344.259504 193.7
[M+NH4]+ 363.300603 205.1
[M+K]+ 384.229938 189.8
[M+H-H2O]+ 328.264040 183.8
[M+HCOO]- 390.264981 212.2
[M+CH3COO]- 404.280631 219.7
[M+Na-2H]- 366.241446 190.5
[M]+ 345.26623142 196.5
[M]- 345.26732858 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