CID 13670218

3-(2,2-dimethyl-1-benzoylhydrazino)-2-methylmethylpropionate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.2
[M+Na]+ 287.13662 166.8
[M-H]- 263.14012 169.0
[M+NH4]+ 282.18122 180.0
[M+K]+ 303.11056 168.5
[M+H-H2O]+ 247.14466 155.4
[M+HCOO]- 309.14560 187.3
[M+CH3COO]- 323.16125 208.8
[M+Na-2H]- 285.12207 164.2
[M]+ 264.14685 166.8
[M]- 264.14795 166.8
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