CID 3018312

72010-74-3

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCN(CC)C1=CC=CC(=C1)NC(=O)CCC(=O)OC
InChI
InChI=1S/C15H22N2O3/c1-4-17(5-2)13-8-6-7-12(11-13)16-14(18)9-10-15(19)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKey
BLIHEFQNDSJVBO-UHFFFAOYSA-N
Compound name
methyl 4-[3-(diethylamino)anilino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 167.5
[M+Na]+ 301.152278 171.6
[M-H]- 277.155784 171.8
[M+NH4]+ 296.196883 183.4
[M+K]+ 317.126218 171.1
[M+H-H2O]+ 261.160320 159.6
[M+HCOO]- 323.161261 191.7
[M+CH3COO]- 337.176911 208.7
[M+Na-2H]- 299.137726 169.1
[M]+ 278.16251142 171.1
[M]- 278.16360858 171.1
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.