CID 30335

20870-64-8

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC(C)O)O
InChI
InChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3
InChIKey
ANXFYQLOZMIJFZ-UHFFFAOYSA-N
Compound name
3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.0
[M+Na]+ 348.15702 185.6
[M-H]- 324.16052 182.7
[M+NH4]+ 343.20162 195.1
[M+K]+ 364.13096 180.6
[M+H-H2O]+ 308.16506 171.9
[M+HCOO]- 370.16600 194.9
[M+CH3COO]- 384.18165 205.6
[M+Na-2H]- 346.14247 179.2
[M]+ 325.16725 179.0
[M]- 325.16835 179.0
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.