CID 56739

Alpha,alpha,n-triallyl-homophtalimide

Structural Information

Molecular Formula
C18H19NO2
SMILES
C=CCC1(C2=CC=CC=C2C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C18H19NO2/c1-4-11-18(12-5-2)15-10-8-7-9-14(15)16(20)19(13-6-3)17(18)21/h4-10H,1-3,11-13H2
InChIKey
FDCHOOHVUTYHEP-UHFFFAOYSA-N
Compound name
2,4,4-tris(prop-2-enyl)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 167.9
[M+Na]+ 304.13079 180.9
[M+NH4]+ 299.17539 176.0
[M+K]+ 320.10473 170.5
[M-H]- 280.13429 168.9
[M+Na-2H]- 302.11624 172.9
[M]+ 281.14102 170.0
[M]- 281.14212 170.0
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.