CID 334476

81721-77-9

Structural Information

Molecular Formula
C19H13NO2
SMILES
C=CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42
InChI
InChI=1S/C19H13NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h2-10H,1,11H2
InChIKey
LKYGYLCYRUQUNK-UHFFFAOYSA-N
Compound name
6-prop-2-enylindeno[1,2-c]isoquinoline-5,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.09464 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10192 165.1
[M+Na]+ 310.08386 177.3
[M-H]- 286.08736 171.1
[M+NH4]+ 305.12846 184.8
[M+K]+ 326.05780 170.1
[M+H-H2O]+ 270.09190 157.6
[M+HCOO]- 332.09284 185.8
[M+CH3COO]- 346.10849 178.0
[M+Na-2H]- 308.06931 170.4
[M]+ 287.09409 168.4
[M]- 287.09519 168.4
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

patents stripe