CID 21149871

Benzeneacetic acid, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CN(C)N(CCC(=O)OC)C(=O)CC1=CC=CC=C1
InChI
InChI=1S/C14H20N2O3/c1-15(2)16(10-9-14(18)19-3)13(17)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey
FIUCJEWRNOTKEN-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 163.3
[M+Na]+ 287.136618 167.1
[M-H]- 263.140124 168.9
[M+NH4]+ 282.181223 180.1
[M+K]+ 303.110558 168.2
[M+H-H2O]+ 247.144660 155.2
[M+HCOO]- 309.145601 188.3
[M+CH3COO]- 323.161251 207.9
[M+Na-2H]- 285.122066 165.4
[M]+ 264.14685142 167.5
[M]- 264.14794858 167.5
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

patents stripe