CID 200389

97722-80-0

Structural Information

Molecular Formula
C15H13N3O5
SMILES
COC(=O)CC(CC(=O)C=[N+]=[N-])N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H13N3O5/c1-23-13(20)7-9(6-10(19)8-17-16)18-14(21)11-4-2-3-5-12(11)15(18)22/h2-5,8-9H,6-7H2,1H3
InChIKey
MRXIJZYJDNDQQL-UHFFFAOYSA-N
Compound name
methyl 6-diazo-3-(1,3-dioxoisoindol-2-yl)-5-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0855 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.092776 170.2
[M+Na]+ 338.074718 176.2
[M-H]- 314.078224 174.6
[M+NH4]+ 333.119323 185.3
[M+K]+ 354.048658 169.1
[M+H-H2O]+ 298.082760 167.3
[M+HCOO]- 360.083701 193.5
[M+CH3COO]- 374.099351 203.8
[M+Na-2H]- 336.060166 173.6
[M]+ 315.08495142 170.6
[M]- 315.08604858 170.6
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

No patent data available for this compound.