CID 318149

Nsc252843

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC12CCC3=CC(=C(C(=C3C1=NNC2=O)OC)OC)OC
InChI
InChI=1S/C15H18N2O4/c1-15-6-5-8-7-9(19-2)11(20-3)12(21-4)10(8)13(15)16-17-14(15)18/h7H,5-6H2,1-4H3,(H,17,18)
InChIKey
HGNQRZJOWIQTOE-UHFFFAOYSA-N
Compound name
7,8,9-trimethoxy-3a-methyl-4,5-dihydro-2H-benzo[g]indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 165.4
[M+Na]+ 313.11587 175.8
[M-H]- 289.11937 167.5
[M+NH4]+ 308.16047 184.2
[M+K]+ 329.08981 172.3
[M+H-H2O]+ 273.12391 158.6
[M+HCOO]- 335.12485 182.2
[M+CH3COO]- 349.14050 201.0
[M+Na-2H]- 311.10132 169.4
[M]+ 290.12610 169.4
[M]- 290.12720 169.4
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.