CID 512949

[3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl] 2-hydrazino-3-oxo-pentanoate

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CCC(=O)C(C(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)C)NN
InChI
InChI=1S/C20H22N2O5/c1-4-15(23)16(22-21)20(26)27-19-14(10-9-11(2)3)17(24)12-7-5-6-8-13(12)18(19)25/h5-9,16,22H,4,10,21H2,1-3H3
InChIKey
FXQHWNMPHXWARI-UHFFFAOYSA-N
Compound name
[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] 2-hydrazinyl-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 186.2
[M+Na]+ 393.14208 190.9
[M-H]- 369.14558 189.6
[M+NH4]+ 388.18668 198.4
[M+K]+ 409.11602 188.3
[M+H-H2O]+ 353.15012 178.7
[M+HCOO]- 415.15106 204.7
[M+CH3COO]- 429.16671 225.8
[M+Na-2H]- 391.12753 183.5
[M]+ 370.15231 187.5
[M]- 370.15341 187.5
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.