CID 9568192

92868-80-9

Structural Information

Molecular Formula
C16H12N2O5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=O)C4C5C=CC(C4C3=O)O5
InChI
InChI=1S/C16H12N2O5/c19-15-13-10-3-4-11(23-10)14(13)16(20)18(15)17-6-8-1-2-9-12(5-8)22-7-21-9/h1-6,10-11,13-14H,7H2/b17-6+
InChIKey
SQWBCPZOMLACLW-UBKPWBPPSA-N
Compound name
2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08190 164.0
[M+Na]+ 335.06384 173.7
[M-H]- 311.06734 175.1
[M+NH4]+ 330.10844 184.2
[M+K]+ 351.03778 173.8
[M+H-H2O]+ 295.07188 162.6
[M+HCOO]- 357.07282 183.7
[M+CH3COO]- 371.08847 177.5
[M+Na-2H]- 333.04929 164.8
[M]+ 312.07407 170.2
[M]- 312.07517 170.2
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.