CID 3022090

Propionanilide, n-(1-(diethylcarbamoyl)ethyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 169.8
[M+Na]+ 299.172998 172.7
[M-H]- 275.176504 175.2
[M+NH4]+ 294.217603 186.2
[M+K]+ 315.146938 173.2
[M+H-H2O]+ 259.181040 161.8
[M+HCOO]- 321.181981 192.9
[M+CH3COO]- 335.197631 212.7
[M+Na-2H]- 297.158446 169.6
[M]+ 276.18323142 172.7
[M]- 276.18432858 172.7
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