CID 508885

2-furancarboxamide, 5-(1,1-dimethylethyl)-n-[2-[[(3r)-1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-

Structural Information

Molecular Formula
C24H33N3O3
SMILES
CC1=CC(=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC=C(O3)C(C)(C)C)C
InChI
InChI=1S/C24H33N3O3/c1-16-6-7-18(17(2)12-16)14-27-11-10-19(15-27)26-22(28)13-25-23(29)20-8-9-21(30-20)24(3,4)5/h6-9,12,19H,10-11,13-15H2,1-5H3,(H,25,29)(H,26,28)/t19-/m1/s1
InChIKey
IYIFPBPJGXTMQB-LJQANCHMSA-N
Compound name
5-tert-butyl-N-[2-[[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.2522 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25948 204.3
[M+Na]+ 434.24142 207.5
[M-H]- 410.24492 213.5
[M+NH4]+ 429.28602 215.2
[M+K]+ 450.21536 204.9
[M+H-H2O]+ 394.24946 196.3
[M+HCOO]- 456.25040 222.6
[M+CH3COO]- 470.26605 230.7
[M+Na-2H]- 432.22687 200.7
[M]+ 411.25165 205.3
[M]- 411.25275 205.3
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.