CID 200389

Nsc 83700

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]+ 316.09278 170.2
[M+Na]+ 338.07472 176.2
[M-H]- 314.07822 174.6
[M+NH4]+ 333.11932 185.3
[M+K]+ 354.04866 169.1
[M+H-H2O]+ 298.08276 167.3
[M+HCOO]- 360.08370 193.5
[M+CH3COO]- 374.09935 203.8
[M+Na-2H]- 336.06017 173.6
[M]+ 315.08495 170.6
[M]- 315.08605 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.