CID 71230799

1418293-22-7

Structural Information

Molecular Formula
C17H21F3N4O2
SMILES
C[C@H](CN(C)C(C)C)NC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C17H21F3N4O2/c1-10(2)24(4)9-11(3)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,10-11H,9H2,1-4H3,(H,21,25)/t11-/m1/s1
InChIKey
MRBOCCFMPAZCHO-LLVKDONJSA-N
Compound name
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

370.16165 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16893 185.0
[M+Na]+ 393.15087 190.7
[M+NH4]+ 388.19547 187.3
[M+K]+ 409.12481 190.0
[M-H]- 369.15437 183.0
[M+Na-2H]- 391.13632 187.0
[M]+ 370.16110 184.7
[M]- 370.16220 184.7
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

patents stripe