CID 129901003

2-[1-[4-[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoyl]piperazine-1-carbonyl]-2-methyl-butyl]isoindoline-1,3-dione

Structural Information

Molecular Formula
C32H36N4O6
SMILES
CC[C@@H](C)[C@H](C(=O)N1CCN(CC1)C(=O)C(C(C)CC)N2C(=O)C3=CC=CC=C3C2=O)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C32H36N4O6/c1-5-19(3)25(35-27(37)21-11-7-8-12-22(21)28(35)38)31(41)33-15-17-34(18-16-33)32(42)26(20(4)6-2)36-29(39)23-13-9-10-14-24(23)30(36)40/h7-14,19-20,25-26H,5-6,15-18H2,1-4H3/t19-,20?,25-,26?/m1/s1
InChIKey
PRGNYQYWUKCVLA-MZABOJSXSA-N
Compound name
2-[1-[4-[(2R,3R)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2635 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.27078 235.3
[M+Na]+ 595.25272 236.3
[M-H]- 571.25622 240.8
[M+NH4]+ 590.29732 237.8
[M+K]+ 611.22666 232.7
[M+H-H2O]+ 555.26076 225.9
[M+HCOO]- 617.26170 239.1
[M+CH3COO]- 631.27735 259.5
[M+Na-2H]- 593.23817 222.2
[M]+ 572.26295 235.2
[M]- 572.26405 235.2
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.