CID 508833

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

Structural Information

Molecular Formula
C23H31N3O3
SMILES
CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC=C(O3)C(C)(C)C
InChI
InChI=1S/C23H31N3O3/c1-16-5-7-17(8-6-16)14-26-12-11-18(15-26)25-21(27)13-24-22(28)19-9-10-20(29-19)23(2,3)4/h5-10,18H,11-15H2,1-4H3,(H,24,28)(H,25,27)/t18-/m1/s1
InChIKey
MVTMKRWUGOYHKD-GOSISDBHSA-N
Compound name
5-tert-butyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.23654 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.24382 199.6
[M+Na]+ 420.22576 202.3
[M-H]- 396.22926 208.5
[M+NH4]+ 415.27036 210.7
[M+K]+ 436.19970 199.9
[M+H-H2O]+ 380.23380 191.4
[M+HCOO]- 442.23474 218.2
[M+CH3COO]- 456.25039 226.4
[M+Na-2H]- 418.21121 197.1
[M]+ 397.23599 199.9
[M]- 397.23709 199.9
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.