CID 317788

Nsc251210

Structural Information

Molecular Formula
C19H18N2O3
SMILES
COC1=C(C=C2C(=C1)CCC3C2=NN(C3=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C19H18N2O3/c1-23-16-10-12-8-9-14-18(15(12)11-17(16)24-2)20-21(19(14)22)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9H2,1-2H3
InChIKey
QHCSKUNQTIMXBD-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2-phenyl-4,5-dihydro-3aH-benzo[g]indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.9
[M+Na]+ 345.120958 185.2
[M-H]- 321.124464 182.0
[M+NH4]+ 340.165563 191.3
[M+K]+ 361.094898 180.1
[M+H-H2O]+ 305.129000 166.4
[M+HCOO]- 367.129941 193.8
[M+CH3COO]- 381.145591 186.9
[M+Na-2H]- 343.106406 178.6
[M]+ 322.13119142 178.4
[M]- 322.13228858 178.4
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.