CID 508898

2-amino-n-[2-[[(3r)-1-[(4-isopropylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula
C24H29F3N4O3
SMILES
CC(C)C1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)OC(F)(F)F)N
InChI
InChI=1S/C24H29F3N4O3/c1-15(2)17-5-3-16(4-6-17)13-31-10-9-18(14-31)30-22(32)12-29-23(33)20-11-19(7-8-21(20)28)34-24(25,26)27/h3-8,11,15,18H,9-10,12-14,28H2,1-2H3,(H,29,33)(H,30,32)/t18-/m1/s1
InChIKey
HNGLRBFAXFOJMZ-GOSISDBHSA-N
Compound name
2-amino-N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.21918 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22646 212.4
[M+Na]+ 501.20840 214.6
[M-H]- 477.21190 215.9
[M+NH4]+ 496.25300 218.9
[M+K]+ 517.18234 210.2
[M+H-H2O]+ 461.21644 200.1
[M+HCOO]- 523.21738 227.0
[M+CH3COO]- 537.23303 244.2
[M+Na-2H]- 499.19385 207.6
[M]+ 478.21863 206.6
[M]- 478.21973 206.6
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.