CID 2797217

Ccg-56242

Structural Information

Molecular Formula
C16H20N2O6
SMILES
CCOC(=O)C(=CNNC(=O)C1=CC=C(C=C1)OC)C(=O)OCC
InChI
InChI=1S/C16H20N2O6/c1-4-23-15(20)13(16(21)24-5-2)10-17-18-14(19)11-6-8-12(22-3)9-7-11/h6-10,17H,4-5H2,1-3H3,(H,18,19)
InChIKey
QJSIMKAACUCJKF-UHFFFAOYSA-N
Compound name
diethyl 2-[[2-(4-methoxybenzoyl)hydrazinyl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

336.13214 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13942 177.4
[M+Na]+ 359.12136 180.6
[M-H]- 335.12486 180.2
[M+NH4]+ 354.16596 189.8
[M+K]+ 375.09530 180.4
[M+H-H2O]+ 319.12940 169.2
[M+HCOO]- 381.13034 199.7
[M+CH3COO]- 395.14599 213.7
[M+Na-2H]- 357.10681 177.3
[M]+ 336.13159 181.6
[M]- 336.13269 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.