CID 508899

2-amino-n-[2-[[1-[(4-hydroxyphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-5-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula
C23H27F3N4O4
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)OC(F)(F)F)N)CC3=CC=C(C=C3)O
InChI
InChI=1S/C23H27F3N4O4/c24-23(25,26)34-18-5-6-20(27)19(11-18)22(33)29-13-21(32)28-12-15-7-9-30(10-8-15)14-16-1-3-17(31)4-2-16/h1-6,11,15,31H,7-10,12-14,27H2,(H,28,32)(H,29,33)
InChIKey
MQPJCOZXNFFGGP-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.19843 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20571 210.7
[M+Na]+ 503.18765 212.2
[M-H]- 479.19115 212.0
[M+NH4]+ 498.23225 214.2
[M+K]+ 519.16159 207.4
[M+H-H2O]+ 463.19569 197.4
[M+HCOO]- 525.19663 222.9
[M+CH3COO]- 539.21228 241.4
[M+Na-2H]- 501.17310 208.6
[M]+ 480.19788 202.4
[M]- 480.19898 202.4
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.