CID 3071140

Brn 5671311

Structural Information

Molecular Formula
C29H34N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C29H34N2O6/c32-26-18-24(28(34)30-26)20-8-12-22(13-9-20)36-16-6-4-2-1-3-5-7-17-37-23-14-10-21(11-15-23)25-19-27(33)31-29(25)35/h8-15,24-25H,1-7,16-19H2,(H,30,32,34)(H,31,33,35)
InChIKey
JTDHKPVMQWGSFA-UHFFFAOYSA-N
Compound name
3-[4-[9-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]nonoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.2417 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.24898 222.4
[M+Na]+ 529.23092 224.5
[M-H]- 505.23442 229.0
[M+NH4]+ 524.27552 227.3
[M+K]+ 545.20486 217.7
[M+H-H2O]+ 489.23896 211.7
[M+HCOO]- 551.23990 236.0
[M+CH3COO]- 565.25555 237.2
[M+Na-2H]- 527.21637 213.7
[M]+ 506.24115 222.5
[M]- 506.24225 222.5
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.