CID 3087704

Brn 5673258

Structural Information

Molecular Formula
C27H30N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C27H30N2O6/c1-16(2)34-20-9-5-18(6-10-20)22-13-24(30)28(26(22)32)15-29-25(31)14-23(27(29)33)19-7-11-21(12-8-19)35-17(3)4/h5-12,16-17,22-23H,13-15H2,1-4H3
InChIKey
JVMQJWJMRMLTDE-UHFFFAOYSA-N
Compound name
1-[[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]methyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 213.1
[M+Na]+ 501.19962 218.3
[M-H]- 477.20312 223.8
[M+NH4]+ 496.24422 221.1
[M+K]+ 517.17356 214.6
[M+H-H2O]+ 461.20766 203.7
[M+HCOO]- 523.20860 228.4
[M+CH3COO]- 537.22425 240.2
[M+Na-2H]- 499.18507 202.9
[M]+ 478.20985 216.0
[M]- 478.21095 216.0
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.