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 186.3
[M+Na]+ 393.15087 191.8
[M-H]- 369.15437 188.8
[M+NH4]+ 388.19547 196.2
[M+K]+ 409.12481 190.6
[M+H-H2O]+ 353.15891 174.6
[M+HCOO]- 415.15985 202.4
[M+CH3COO]- 429.17550 224.9
[M+Na-2H]- 391.13632 185.7
[M]+ 370.16110 185.8
[M]- 370.16220 185.8
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