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]+ 307.16524 171.5
[M+Na]+ 329.14718 179.0
[M+NH4]+ 324.19178 176.3
[M+K]+ 345.12112 176.6
[M-H]- 305.15068 172.0
[M+Na-2H]- 327.13263 174.5
[M]+ 306.15741 172.2
[M]- 306.15851 172.2
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.