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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	361.212176	189.3
[M+Na]+	383.194118	194.2
[M-H]-	359.197624	193.8
[M+NH4]+	378.238723	205.7
[M+K]+	399.168058	192.3
[M+H-H2O]+	343.202160	182.4
[M+HCOO]-	405.203101	203.7
[M+CH3COO]-	419.218751	211.7
[M+Na-2H]-	381.179566	188.0
[M]+	360.20435142	191.0
[M]-	360.20544858	191.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.