CID 199299

Brn 2816213

Structural Information

Molecular Formula
C15H23N3O3
SMILES
CCC(C(=O)NC(=O)NC1=CC=C(C=C1)OCC)N(C)C
InChI
InChI=1S/C15H23N3O3/c1-5-13(18(3)4)14(19)17-15(20)16-11-7-9-12(10-8-11)21-6-2/h7-10,13H,5-6H2,1-4H3,(H2,16,17,19,20)
InChIKey
WJGKWRGPMWHPCV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[(4-ethoxyphenyl)carbamoyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18123 172.0
[M+Na]+ 316.16317 175.1
[M-H]- 292.16667 176.4
[M+NH4]+ 311.20777 186.9
[M+K]+ 332.13711 175.2
[M+H-H2O]+ 276.17121 163.8
[M+HCOO]- 338.17215 196.2
[M+CH3COO]- 352.18780 214.1
[M+Na-2H]- 314.14862 172.7
[M]+ 293.17340 174.1
[M]- 293.17450 174.1
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

No patent data available for this compound.