CID 387985

Nsc682351

Structural Information

Molecular Formula
C22H19NO3
SMILES
CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H19NO3/c1-23-20(24)18-14-8-9-15-19(18)21(25,16-10-4-2-5-11-16)22(23,26)17-12-6-3-7-13-17/h2-15,25-26H,1H3
InChIKey
IYUOZWXCZKEYSV-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-2-methyl-3,4-diphenylisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 184.2
[M+Na]+ 368.12572 193.0
[M-H]- 344.12922 191.3
[M+NH4]+ 363.17032 199.2
[M+K]+ 384.09966 186.6
[M+H-H2O]+ 328.13376 174.1
[M+HCOO]- 390.13470 200.3
[M+CH3COO]- 404.15035 194.1
[M+Na-2H]- 366.11117 189.7
[M]+ 345.13595 181.9
[M]- 345.13705 181.9
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.