CID 5277314

Methyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
COC(=O)C1(CCN(CC1)C2=CC=CC(=C2)NC(=S)N)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2S/c1-25-18(24)20(15-6-3-2-4-7-15)10-12-23(13-11-20)17-9-5-8-16(14-17)22-19(21)26/h2-9,14H,10-13H2,1H3,(H3,21,22,26)
InChIKey
ITWICLJTVVSACW-UHFFFAOYSA-N
Compound name
methyl 1-[3-(carbamothioylamino)phenyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1511 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 186.6
[M+Na]+ 392.14032 190.0
[M-H]- 368.14382 193.2
[M+NH4]+ 387.18492 198.3
[M+K]+ 408.11426 184.8
[M+H-H2O]+ 352.14836 177.3
[M+HCOO]- 414.14930 199.9
[M+CH3COO]- 428.16495 217.4
[M+Na-2H]- 390.12577 187.0
[M]+ 369.15055 182.7
[M]- 369.15165 182.7
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.