CID 168510630

Jnt-517

Structural Information

Molecular Formula
C18H22F4N4O3
SMILES
C1C[C@H](CN(C1)C(=O)N)N(C2CC2)C(=O)NCC3=C(C=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C18H22F4N4O3/c19-15-8-14(29-18(20,21)22)6-3-11(15)9-24-17(28)26(12-4-5-12)13-2-1-7-25(10-13)16(23)27/h3,6,8,12-13H,1-2,4-5,7,9-10H2,(H2,23,27)(H,24,28)/t13-/m1/s1
InChIKey
FNRHWODWSBDOOY-CYBMUJFWSA-N
Compound name
(3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1628 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17008 184.4
[M+Na]+ 441.15202 188.9
[M-H]- 417.15552 187.9
[M+NH4]+ 436.19662 187.9
[M+K]+ 457.12596 184.4
[M+H-H2O]+ 401.16006 172.4
[M+HCOO]- 463.16100 198.9
[M+CH3COO]- 477.17665 233.8
[M+Na-2H]- 439.13747 183.0
[M]+ 418.16225 178.6
[M]- 418.16335 178.6
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.