CID 583524

Gb-406

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCOC(=O)C1=CC=CC=C1NCC(=O)N(C)C
InChI
InChI=1S/C13H18N2O3/c1-4-18-13(17)10-7-5-6-8-11(10)14-9-12(16)15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKey
CKKMWDPVJNLZMV-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.2
[M+Na]+ 273.12096 163.2
[M-H]- 249.12446 162.9
[M+NH4]+ 268.16556 175.3
[M+K]+ 289.09490 163.1
[M+H-H2O]+ 233.12900 150.7
[M+HCOO]- 295.12994 183.0
[M+CH3COO]- 309.14559 202.7
[M+Na-2H]- 271.10641 160.9
[M]+ 250.13119 161.1
[M]- 250.13229 161.1
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.