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]+ 308.16451 174.6
[M+Na]+ 330.14645 182.4
[M-H]- 306.14995 179.6
[M+NH4]+ 325.19105 192.2
[M+K]+ 346.12039 176.3
[M+H-H2O]+ 290.15449 167.0
[M+HCOO]- 352.15543 193.1
[M+CH3COO]- 366.17108 204.2
[M+Na-2H]- 328.13190 176.2
[M]+ 307.15668 174.8
[M]- 307.15778 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.