CID 56740

Gb-403

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N(CC(=O)N(C)C)C(=O)C
InChI
InChI=1S/C15H20N2O4/c1-5-21-15(20)12-6-8-13(9-7-12)17(11(2)18)10-14(19)16(3)4/h6-9H,5,10H2,1-4H3
InChIKey
VUHGEIOHKFQRJI-UHFFFAOYSA-N
Compound name
ethyl 4-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]benzoate
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 167.7
[M+Na]+ 315.13152 175.8
[M+NH4]+ 310.17612 172.8
[M+K]+ 331.10546 172.7
[M-H]- 291.13502 168.5
[M+Na-2H]- 313.11697 171.3
[M]+ 292.14175 168.6
[M]- 292.14285 168.6
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.