CID 3071138

Brn 5667697

Structural Information

Molecular Formula
C27H30N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C27H30N2O6/c30-24-16-22(26(32)28-24)18-6-10-20(11-7-18)34-14-4-2-1-3-5-15-35-21-12-8-19(9-13-21)23-17-25(31)29-27(23)33/h6-13,22-23H,1-5,14-17H2,(H,28,30,32)(H,29,31,33)
InChIKey
CWUSQJVETOQIJN-UHFFFAOYSA-N
Compound name
3-[4-[7-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]heptoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 214.2
[M+Na]+ 501.19962 217.3
[M-H]- 477.20312 221.2
[M+NH4]+ 496.24422 220.4
[M+K]+ 517.17356 210.9
[M+H-H2O]+ 461.20766 204.0
[M+HCOO]- 523.20860 228.5
[M+CH3COO]- 537.22425 231.5
[M+Na-2H]- 499.18507 206.5
[M]+ 478.20985 213.7
[M]- 478.21095 213.7
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.