CID 508986

(2s)-n-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]-2-[(4-methoxyphenyl)carbamoylamino]propanamide

Structural Information

Molecular Formula
C24H30Cl2N4O3
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H30Cl2N4O3/c1-16(28-24(32)29-19-4-6-20(33-2)7-5-19)23(31)27-14-17-9-11-30(12-10-17)15-18-3-8-21(25)22(26)13-18/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,27,31)(H2,28,29,32)/t16-/m0/s1
InChIKey
SXSCIXVBYKRRED-INIZCTEOSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methoxyphenyl)carbamoylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1695 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.17678 216.4
[M+Na]+ 515.15872 218.6
[M-H]- 491.16222 222.6
[M+NH4]+ 510.20332 222.3
[M+K]+ 531.13266 212.7
[M+H-H2O]+ 475.16676 206.8
[M+HCOO]- 537.16770 224.8
[M+CH3COO]- 551.18335 244.0
[M+Na-2H]- 513.14417 213.4
[M]+ 492.16895 217.2
[M]- 492.17005 217.2
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.