CID 57156

97021-17-5

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCOC(=O)C1=CC=CC=C1N(C(C)C(=O)N(C)C)C(=O)C
InChI
InChI=1S/C16H22N2O4/c1-6-22-16(21)13-9-7-8-10-14(13)18(12(3)19)11(2)15(20)17(4)5/h7-11H,6H2,1-5H3
InChIKey
QAFKBRQHJNQJEE-UHFFFAOYSA-N
Compound name
ethyl 2-[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 172.7
[M+Na]+ 329.14718 176.5
[M-H]- 305.15068 178.6
[M+NH4]+ 324.19178 187.9
[M+K]+ 345.12112 178.3
[M+H-H2O]+ 289.15522 164.9
[M+HCOO]- 351.15616 195.5
[M+CH3COO]- 365.17181 217.5
[M+Na-2H]- 327.13263 171.0
[M]+ 306.15741 177.5
[M]- 306.15851 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.