CID 13670226

Dimethyl (1-benzoyl-2,2-dimethylhydrazino)butanedioate

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CN(C)N(C(CC(=O)OC)C(=O)OC)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H20N2O5/c1-16(2)17(14(19)11-8-6-5-7-9-11)12(15(20)22-4)10-13(18)21-3/h5-9,12H,10H2,1-4H3
InChIKey
GSYFBKFCSMDHBF-UHFFFAOYSA-N
Compound name
dimethyl 2-[benzoyl(dimethylamino)amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.1372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.6
[M+Na]+ 331.12642 174.7
[M-H]- 307.12992 177.2
[M+NH4]+ 326.17102 186.3
[M+K]+ 347.10036 177.3
[M+H-H2O]+ 291.13446 163.4
[M+HCOO]- 353.13540 194.9
[M+CH3COO]- 367.15105 215.4
[M+Na-2H]- 329.11187 171.1
[M]+ 308.13665 177.0
[M]- 308.13775 177.0
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