CID 508880

2-amino-n-[2-[[(3r)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C23H27F3N4O4
SMILES
CCOC1=C(C=CC(=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N)O
InChI
InChI=1S/C23H27F3N4O4/c1-2-34-20-9-14(3-6-19(20)31)12-30-8-7-16(13-30)29-21(32)11-28-22(33)17-10-15(23(24,25)26)4-5-18(17)27/h3-6,9-10,16,31H,2,7-8,11-13,27H2,1H3,(H,28,33)(H,29,32)/t16-/m1/s1
InChIKey
IXJHEXVYJUFTAK-MRXNPFEDSA-N
Compound name
2-amino-N-[2-[[(3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.19843 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20571 210.5
[M+Na]+ 503.18765 213.6
[M-H]- 479.19115 213.1
[M+NH4]+ 498.23225 216.4
[M+K]+ 519.16159 208.9
[M+H-H2O]+ 463.19569 198.5
[M+HCOO]- 525.19663 225.0
[M+CH3COO]- 539.21228 241.9
[M+Na-2H]- 501.17310 206.5
[M]+ 480.19788 204.9
[M]- 480.19898 204.9
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.