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

4
Patents

360.13214 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 182.6
[M+Na]+ 383.12136 189.2
[M-H]- 359.12486 188.1
[M+NH4]+ 378.16596 197.1
[M+K]+ 399.09530 187.8
[M+H-H2O]+ 343.12940 176.2
[M+HCOO]- 405.13034 198.3
[M+CH3COO]- 419.14599 211.7
[M+Na-2H]- 381.10681 180.5
[M]+ 360.13159 185.6
[M]- 360.13269 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