CID 162076

2h-indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

Structural Information

Molecular Formula
C22H19NO3
SMILES
CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)O)C)O
InChI
InChI=1S/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKey
ZEKCYPANSOJWDH-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3882
Patents

345.1365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.143776 182.9
[M+Na]+ 368.125718 192.8
[M-H]- 344.129224 189.7
[M+NH4]+ 363.170323 197.9
[M+K]+ 384.099658 185.2
[M+H-H2O]+ 328.133760 174.9
[M+HCOO]- 390.134701 199.8
[M+CH3COO]- 404.150351 193.3
[M+Na-2H]- 366.111166 184.0
[M]+ 345.13595142 181.7
[M]- 345.13704858 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe