CID 508884

2-furancarboxamide, n-[2-[[(3r)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]amino]-2-oxoethyl]-5-(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C23H29N3O5
SMILES
CC(C)(C)C1=CC=C(O1)C(=O)NCC(=O)N[C@@H]2CCN(C2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C23H29N3O5/c1-23(2,3)20-7-6-18(31-20)22(28)24-11-21(27)25-16-8-9-26(13-16)12-15-4-5-17-19(10-15)30-14-29-17/h4-7,10,16H,8-9,11-14H2,1-3H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKey
BCXJQYMODKUDII-MRXNPFEDSA-N
Compound name
N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-5-tert-butylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.21072 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.21800 203.2
[M+Na]+ 450.19994 205.7
[M-H]- 426.20344 214.4
[M+NH4]+ 445.24454 212.9
[M+K]+ 466.17388 206.5
[M+H-H2O]+ 410.20798 197.9
[M+HCOO]- 472.20892 219.2
[M+CH3COO]- 486.22457 230.0
[M+Na-2H]- 448.18539 201.5
[M]+ 427.21017 205.8
[M]- 427.21127 205.8
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.