CID 91933845

1809885-32-2

Structural Information

Molecular Formula
C18H23F4N3O3
SMILES
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC(F)(F)F)F
InChI
InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
InChIKey
LHRXHTKENPCGSZ-NSHDSACASA-N
Compound name
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

405.16754 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17482 191.0
[M+Na]+ 428.15676 194.3
[M+NH4]+ 423.20136 192.2
[M+K]+ 444.13070 191.5
[M-H]- 404.16026 186.5
[M+Na-2H]- 426.14221 191.0
[M]+ 405.16699 189.4
[M]- 405.16809 189.4
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

patents stripe