CID 387986

Nsc682352

Structural Information

Molecular Formula
C24H23NO3
SMILES
CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N(C2(C4=CC=C(C=C4)C)O)C)O
InChI
InChI=1S/C24H23NO3/c1-16-8-12-18(13-9-16)23(27)21-7-5-4-6-20(21)22(26)25(3)24(23,28)19-14-10-17(2)11-15-19/h4-15,27-28H,1-3H3
InChIKey
UQRXVACWPANGTN-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-2-methyl-3,4-bis(4-methylphenyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17508 192.0
[M+Na]+ 396.15702 201.6
[M-H]- 372.16052 199.5
[M+NH4]+ 391.20162 206.5
[M+K]+ 412.13096 195.1
[M+H-H2O]+ 356.16506 182.0
[M+HCOO]- 418.16600 207.3
[M+CH3COO]- 432.18165 201.7
[M+Na-2H]- 394.14247 195.2
[M]+ 373.16725 191.3
[M]- 373.16835 191.3
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.