CID 3006339

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

Structural Information

Molecular Formula
C24H30Cl2N4O2S
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=S)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C24H30Cl2N4O2S/c1-16(28-24(33)29-19-4-3-5-20(13-19)32-2)23(31)27-14-17-8-10-30(11-9-17)15-18-6-7-21(25)22(26)12-18/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,27,31)(H2,28,29,33)/t16-/m0/s1
InChIKey
IYUHXGXZRBTELQ-INIZCTEOSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(3-methoxyphenyl)carbamothioylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.14667 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15395 216.4
[M+Na]+ 531.13589 218.5
[M-H]- 507.13939 222.5
[M+NH4]+ 526.18049 222.4
[M+K]+ 547.10983 211.2
[M+H-H2O]+ 491.14393 207.9
[M+HCOO]- 553.14487 219.7
[M+CH3COO]- 567.16052 244.9
[M+Na-2H]- 529.12134 212.4
[M]+ 508.14612 218.0
[M]- 508.14722 218.0
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.