CID 155908677

Dsm705

Structural Information

Molecular Formula
C19H19F3N6O
SMILES
CC1=C(NC=C1C2(CC2)C3=CN=C(C=C3)C(F)(F)F)C(=O)N[C@H](C)C4=NC=NN4
InChI
InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1
InChIKey
JUBPRXDFKLPILK-LLVKDONJSA-N
Compound name
3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-4-[1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl]-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.15726 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16454 189.2
[M+Na]+ 427.14648 197.4
[M+NH4]+ 422.19108 192.7
[M+K]+ 443.12042 197.4
[M-H]- 403.14998 192.9
[M+Na-2H]- 425.13193 197.0
[M]+ 404.15671 192.0
[M]- 404.15781 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.