CID 130767

114932-60-4

Structural Information

Molecular Formula
C24H19NO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
InChI
InChI=1S/C24H19NO4/c26-20-13-14-21(27)25(20)29-22(28)6-2-3-15-7-8-18-10-9-16-4-1-5-17-11-12-19(15)24(18)23(16)17/h1,4-5,7-12H,2-3,6,13-14H2
InChIKey
YBNMDCCMCLUHBL-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-pyren-1-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35354
Patents

385.1314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13868 189.8
[M+Na]+ 408.12062 205.1
[M+NH4]+ 403.16522 198.1
[M+K]+ 424.09456 197.9
[M-H]- 384.12412 193.5
[M+Na-2H]- 406.10607 194.3
[M]+ 385.13085 193.1
[M]- 385.13195 193.1
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