CID 24835171

Benzoic acid, 1-(3-ethoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCOC(=O)CCN(C(=O)C1=CC=CC=C1)N(C)C
InChI
InChI=1S/C14H20N2O3/c1-4-19-13(17)10-11-16(15(2)3)14(18)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKey
ZCKLQJHITPJXAE-UHFFFAOYSA-N
Compound name
ethyl 3-[benzoyl(dimethylamino)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.3
[M+Na]+ 287.13662 167.1
[M-H]- 263.14012 168.9
[M+NH4]+ 282.18122 180.1
[M+K]+ 303.11056 168.2
[M+H-H2O]+ 247.14466 155.2
[M+HCOO]- 309.14560 188.3
[M+CH3COO]- 323.16125 207.9
[M+Na-2H]- 285.12207 165.4
[M]+ 264.14685 167.5
[M]- 264.14795 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