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 168.4
[M+Na]+ 315.13152 172.8
[M-H]- 291.13502 174.5
[M+NH4]+ 310.17612 184.3
[M+K]+ 331.10546 174.3
[M+H-H2O]+ 275.13956 160.6
[M+HCOO]- 337.14050 192.6
[M+CH3COO]- 351.15615 213.6
[M+Na-2H]- 313.11697 168.4
[M]+ 292.14175 173.5
[M]- 292.14285 173.5
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.