CID 318143

57897-24-2

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COC1=C(C(=C2CCC3C(=NNC3=O)C2=C1)OC)OC
InChI
InChI=1S/C14H16N2O4/c1-18-10-6-9-7(12(19-2)13(10)20-3)4-5-8-11(9)15-16-14(8)17/h6,8H,4-5H2,1-3H3,(H,16,17)
InChIKey
FJMPXBTUAFUQAG-UHFFFAOYSA-N
Compound name
6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 161.5
[M+Na]+ 299.10022 171.2
[M-H]- 275.10372 163.4
[M+NH4]+ 294.14482 178.7
[M+K]+ 315.07416 167.7
[M+H-H2O]+ 259.10826 154.3
[M+HCOO]- 321.10920 178.5
[M+CH3COO]- 335.12485 198.5
[M+Na-2H]- 297.08567 164.7
[M]+ 276.11045 164.7
[M]- 276.11155 164.7
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.