CID 162342394

2248302-85-2

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O6/c1-18(2,3)25-17(24)19-9-8-11(10-19)16(23)26-20-14(21)12-6-4-5-7-13(12)15(20)22/h4-7,11H,8-10H2,1-3H3
InChIKey
WWHDOUBQWTZHNY-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-(1,3-dioxoisoindol-2-yl) pyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

360.13214 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.139416 182.6
[M+Na]+ 383.121358 189.2
[M-H]- 359.124864 188.1
[M+NH4]+ 378.165963 197.1
[M+K]+ 399.095298 187.8
[M+H-H2O]+ 343.129400 176.2
[M+HCOO]- 405.130341 198.3
[M+CH3COO]- 419.145991 211.7
[M+Na-2H]- 381.106806 180.5
[M]+ 360.13159142 185.6
[M]- 360.13268858 185.6
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

patents stripe