CID 5495873

Benzamide, n-[(1s)-2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-3,4,5-trimethoxy-

Structural Information

Molecular Formula
C26H34ClN3O5
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H34ClN3O5/c1-17(29-26(32)20-13-22(33-2)24(35-4)23(14-20)34-3)25(31)28-15-18-9-11-30(12-10-18)16-19-5-7-21(27)8-6-19/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3,(H,28,31)(H,29,32)/t17-/m0/s1
InChIKey
KLXFXYYCEPRYFP-KRWDZBQOSA-N
Compound name
N-[(2S)-1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.2187 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.22598 221.0
[M+Na]+ 526.20792 222.9
[M-H]- 502.21142 227.9
[M+NH4]+ 521.25252 226.0
[M+K]+ 542.18186 219.2
[M+H-H2O]+ 486.21596 210.3
[M+HCOO]- 548.21690 232.8
[M+CH3COO]- 562.23255 247.3
[M+Na-2H]- 524.19337 216.6
[M]+ 503.21815 224.6
[M]- 503.21925 224.6
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.