CID 146675699

2208787-30-6

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2C1(CN(C2)CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-11-10-16-13-21(12-15-8-6-5-7-9-15)14-20(16,22)17(23)25-4/h5-9,16H,10-14H2,1-4H3
InChIKey
KWSAEUJQUUZEGF-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 6a-O-methyl 5-benzyl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole-1,6a-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 189.3
[M+Na]+ 383.19412 194.2
[M-H]- 359.19762 193.8
[M+NH4]+ 378.23872 205.7
[M+K]+ 399.16806 192.3
[M+H-H2O]+ 343.20216 182.4
[M+HCOO]- 405.20310 203.7
[M+CH3COO]- 419.21875 211.7
[M+Na-2H]- 381.17957 188.0
[M]+ 360.20435 191.0
[M]- 360.20545 191.0
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.