CID 15954857

Schembl6815241

Structural Information

Molecular Formula
C20H23ClN4OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl
InChI
InChI=1S/C20H23ClN4OS/c1-14(26)22-15-5-7-16(8-6-15)23-20(27)24-17-9-10-19(18(21)13-17)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,22,26)(H2,23,24,27)
InChIKey
BMAZXHFRMIBTQW-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

402.1281 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13538 192.8
[M+Na]+ 425.11732 196.2
[M-H]- 401.12082 199.8
[M+NH4]+ 420.16192 202.4
[M+K]+ 441.09126 188.8
[M+H-H2O]+ 385.12536 183.8
[M+HCOO]- 447.12630 202.9
[M+CH3COO]- 461.14195 225.6
[M+Na-2H]- 423.10277 192.4
[M]+ 402.12755 190.1
[M]- 402.12865 190.1
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

patents stripe