CID 29395

3,3-diallyl-1-phenyl-2-indolinone

Structural Information

Molecular Formula
C20H19NO
SMILES
C=CCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC=C
InChI
InChI=1S/C20H19NO/c1-3-14-20(15-4-2)17-12-8-9-13-18(17)21(19(20)22)16-10-6-5-7-11-16/h3-13H,1-2,14-15H2
InChIKey
ZAEAFXXRGMLYMD-UHFFFAOYSA-N
Compound name
1-phenyl-3,3-bis(prop-2-enyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14667 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15395 169.6
[M+Na]+ 312.13589 178.6
[M-H]- 288.13939 175.9
[M+NH4]+ 307.18049 188.7
[M+K]+ 328.10983 171.6
[M+H-H2O]+ 272.14393 161.6
[M+HCOO]- 334.14487 190.6
[M+CH3COO]- 348.16052 203.0
[M+Na-2H]- 310.12134 172.6
[M]+ 289.14612 170.1
[M]- 289.14722 170.1
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.