CID 57157

Gb 404

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N(C(C)C(=O)N(C)C)C(=O)C
InChI
InChI=1S/C16H22N2O4/c1-6-22-16(21)13-7-9-14(10-8-13)18(12(3)19)11(2)15(20)17(4)5/h7-11H,6H2,1-5H3
InChIKey
WDQRDEBMPODPPU-UHFFFAOYSA-N
Compound name
ethyl 4-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 172.7
[M+Na]+ 329.147178 176.5
[M-H]- 305.150684 178.6
[M+NH4]+ 324.191783 187.9
[M+K]+ 345.121118 178.3
[M+H-H2O]+ 289.155220 164.9
[M+HCOO]- 351.156161 195.5
[M+CH3COO]- 365.171811 217.5
[M+Na-2H]- 327.132626 171.0
[M]+ 306.15741142 177.5
[M]- 306.15850858 177.5
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.