CID 317780

Nsc251202

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC1=CC2=C(C=C1)C3=NNC(=O)C3CC2
InChI
InChI=1S/C12H12N2O2/c1-16-8-3-5-9-7(6-8)2-4-10-11(9)13-14-12(10)15/h3,5-6,10H,2,4H2,1H3,(H,14,15)
InChIKey
JQUHKKOKUQOLDW-UHFFFAOYSA-N
Compound name
7-methoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.3
[M+Na]+ 239.07909 155.7
[M-H]- 215.08259 147.9
[M+NH4]+ 234.12369 165.7
[M+K]+ 255.05303 151.3
[M+H-H2O]+ 199.08713 139.3
[M+HCOO]- 261.08807 163.9
[M+CH3COO]- 275.10372 158.5
[M+Na-2H]- 237.06454 151.8
[M]+ 216.08932 145.3
[M]- 216.09042 145.3
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.