CID 626783

N-(1-pyrenyl)maleimide

Structural Information

Molecular Formula
C20H11NO2
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C(=O)C=CC5=O
InChI
InChI=1S/C20H11NO2/c22-17-10-11-18(23)21(17)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H
InChIKey
YXKWRQLPBHVBRP-UHFFFAOYSA-N
Compound name
1-pyren-1-ylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

137
References

1490
Patents

297.07898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08626 167.0
[M+Na]+ 320.06820 178.4
[M-H]- 296.07170 174.8
[M+NH4]+ 315.11280 186.2
[M+K]+ 336.04214 171.6
[M+H-H2O]+ 280.07624 158.2
[M+HCOO]- 342.07718 187.1
[M+CH3COO]- 356.09283 179.6
[M+Na-2H]- 318.05365 173.7
[M]+ 297.07843 171.0
[M]- 297.07953 171.0
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

patents stripe