CID 508925

(2s)-n-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

Structural Information

Molecular Formula
C25H32Cl2N4O2
SMILES
CC(C)[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C25H32Cl2N4O2/c1-17(2)23(30-25(33)29-20-6-4-3-5-7-20)24(32)28-15-18-10-12-31(13-11-18)16-19-8-9-21(26)22(27)14-19/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,28,32)(H2,29,30,33)/t23-/m0/s1
InChIKey
WLDCQQZWODKPBJ-QHCPKHFHSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.19025 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.19753 217.3
[M+Na]+ 513.17947 218.1
[M-H]- 489.18297 223.0
[M+NH4]+ 508.22407 223.1
[M+K]+ 529.15341 211.7
[M+H-H2O]+ 473.18751 207.8
[M+HCOO]- 535.18845 224.3
[M+CH3COO]- 549.20410 244.2
[M+Na-2H]- 511.16492 213.3
[M]+ 490.18970 216.3
[M]- 490.19080 216.3
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.