CID 154722039

2363155-67-1

Structural Information

Molecular Formula
C21H20N4O6
SMILES
COC1=CC(=CC(=C1O)OC)N=NC2=CC=CC3=C2CN(C3=O)C4CCC(=O)NC4=O
InChI
InChI=1S/C21H20N4O6/c1-30-16-8-11(9-17(31-2)19(16)27)23-24-14-5-3-4-12-13(14)10-25(21(12)29)15-6-7-18(26)22-20(15)28/h3-5,8-9,15,27H,6-7,10H2,1-2H3,(H,22,26,28)
InChIKey
SEIXCIABWLTGMR-UHFFFAOYSA-N
Compound name
3-[7-[(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

424.13828 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14556 196.6
[M+Na]+ 447.12750 203.7
[M-H]- 423.13100 205.2
[M+NH4]+ 442.17210 205.8
[M+K]+ 463.10144 199.7
[M+H-H2O]+ 407.13554 186.3
[M+HCOO]- 469.13648 215.5
[M+CH3COO]- 483.15213 233.4
[M+Na-2H]- 445.11295 196.3
[M]+ 424.13773 197.8
[M]- 424.13883 197.8
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

patents stripe