CID 201643

253 dl

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CCN(CC)C(=O)C(CC(=O)O)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H20N2O4/c1-3-17(4-2)15(21)12(10-13(18)19)16-14(20)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKey
LIRSRJUGLQMZKJ-UHFFFAOYSA-N
Compound name
3-benzamido-4-(diethylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 169.8
[M+Na]+ 315.13152 172.3
[M-H]- 291.13502 172.5
[M+NH4]+ 310.17612 183.8
[M+K]+ 331.10546 172.0
[M+H-H2O]+ 275.13956 162.1
[M+HCOO]- 337.14050 190.9
[M+CH3COO]- 351.15615 208.2
[M+Na-2H]- 313.11697 169.3
[M]+ 292.14175 170.6
[M]- 292.14285 170.6
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.