CID 3087009

Brn 4280064

Structural Information

Molecular Formula
C20H19ClF5N3O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=C(C(=C(C(=C3F)F)F)F)F)Cl)N
InChI
InChI=1S/C20H19ClF5N3O3/c1-31-14-5-13(27)12(21)4-10(14)20(30)28-6-9-7-29(2-3-32-9)8-11-15(22)17(24)19(26)18(25)16(11)23/h4-5,9H,2-3,6-8,27H2,1H3,(H,28,30)
InChIKey
VPQZUMGQKZSAJM-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[[4-[(2,3,4,5,6-pentafluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.10352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.11080 207.4
[M+Na]+ 502.09274 214.1
[M+NH4]+ 497.13734 208.7
[M+K]+ 518.06668 209.0
[M-H]- 478.09624 205.9
[M+Na-2H]- 500.07819 207.5
[M]+ 479.10297 207.6
[M]- 479.10407 207.6
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.