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]+ 323.13902 175.9
[M+Na]+ 345.12096 185.2
[M-H]- 321.12446 182.0
[M+NH4]+ 340.16556 191.3
[M+K]+ 361.09490 180.1
[M+H-H2O]+ 305.12900 166.4
[M+HCOO]- 367.12994 193.8
[M+CH3COO]- 381.14559 186.9
[M+Na-2H]- 343.10641 178.6
[M]+ 322.13119 178.4
[M]- 322.13229 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.