CID 508819

Benzamide, n-[(1r)-2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-2,5-bis(2,2,2-trifluoroethoxy)-

Structural Information

Molecular Formula
C27H30ClF6N3O4
SMILES
C[C@H](C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=C(C=CC(=C3)OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C27H30ClF6N3O4/c1-17(24(38)35-13-18-8-10-37(11-9-18)14-19-2-4-20(28)5-3-19)36-25(39)22-12-21(40-15-26(29,30)31)6-7-23(22)41-16-27(32,33)34/h2-7,12,17-18H,8-11,13-16H2,1H3,(H,35,38)(H,36,39)/t17-/m1/s1
InChIKey
RGBMDCBROZGLFO-QGZVFWFLSA-N
Compound name
N-[(2R)-1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.1829 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.19018 237.2
[M+Na]+ 632.17212 239.6
[M-H]- 608.17562 236.1
[M+NH4]+ 627.21672 237.8
[M+K]+ 648.14606 233.4
[M+H-H2O]+ 592.18016 222.0
[M+HCOO]- 654.18110 239.2
[M+CH3COO]- 668.19675 261.3
[M+Na-2H]- 630.15757 232.3
[M]+ 609.18235 231.9
[M]- 609.18345 231.9
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.