CID 508871

Benzamide, n-[2-[[(3r)-1-(1,2,4-oxadiazol-3-ylmethyl)-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C17H18F3N5O3
SMILES
C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=NOC=N3
InChI
InChI=1S/C17H18F3N5O3/c18-17(19,20)12-3-1-2-11(6-12)16(27)21-7-15(26)23-13-4-5-25(8-13)9-14-22-10-28-24-14/h1-3,6,10,13H,4-5,7-9H2,(H,21,27)(H,23,26)/t13-/m1/s1
InChIKey
UNANNIUISLCJJU-CYBMUJFWSA-N
Compound name
N-[2-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.13617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.14345 186.2
[M+Na]+ 420.12539 190.7
[M-H]- 396.12889 189.2
[M+NH4]+ 415.16999 194.1
[M+K]+ 436.09933 188.0
[M+H-H2O]+ 380.13343 173.9
[M+HCOO]- 442.13437 201.2
[M+CH3COO]- 456.15002 220.9
[M+Na-2H]- 418.11084 185.8
[M]+ 397.13562 182.0
[M]- 397.13672 182.0
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.