CID 30334

20870-57-9

Structural Information

Molecular Formula
C20H21NO2
SMILES
CC(CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC=C)O
InChI
InChI=1S/C20H21NO2/c1-3-13-20(14-15(2)22)17-11-7-8-12-18(17)21(19(20)23)16-9-5-4-6-10-16/h3-12,15,22H,1,13-14H2,2H3
InChIKey
BBHXFCQKDKPQFH-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 174.6
[M+Na]+ 330.146448 182.4
[M-H]- 306.149954 179.6
[M+NH4]+ 325.191053 192.2
[M+K]+ 346.120388 176.3
[M+H-H2O]+ 290.154490 167.0
[M+HCOO]- 352.155431 193.1
[M+CH3COO]- 366.171081 204.2
[M+Na-2H]- 328.131896 176.2
[M]+ 307.15668142 174.8
[M]- 307.15777858 174.8
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.