CID 334955

81721-78-0

Structural Information

Molecular Formula
C19H11NO2
SMILES
C#CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42
InChI
InChI=1S/C19H11NO2/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/h1,3-10H,11H2
InChIKey
UMRYKNVDLHXTAA-UHFFFAOYSA-N
Compound name
6-prop-2-ynylindeno[1,2-c]isoquinoline-5,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08626 171.6
[M+Na]+ 308.06820 186.7
[M-H]- 284.07170 174.9
[M+NH4]+ 303.11280 188.9
[M+K]+ 324.04214 174.8
[M+H-H2O]+ 268.07624 158.3
[M+HCOO]- 330.07718 186.4
[M+CH3COO]- 344.09283 182.2
[M+Na-2H]- 306.05365 174.9
[M]+ 285.07843 168.9
[M]- 285.07953 168.9
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.