CID 708145

1-cinnamoylindoline

Structural Information

Molecular Formula
C17H15NO
SMILES
C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H15NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-11H,12-13H2/b11-10+
InChIKey
KOXWNCZJMHQJNC-ZHACJKMWSA-N
Compound name
(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.11537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 158.4
[M+Na]+ 272.10459 165.3
[M-H]- 248.10809 164.2
[M+NH4]+ 267.14919 176.6
[M+K]+ 288.07853 160.0
[M+H-H2O]+ 232.11263 150.3
[M+HCOO]- 294.11357 179.2
[M+CH3COO]- 308.12922 170.2
[M+Na-2H]- 270.09004 162.1
[M]+ 249.11482 156.6
[M]- 249.11592 156.6
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

No patent data available for this compound.