CID 5272346

4-piperidinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(cyclohexylmethyl)-

Structural Information

Molecular Formula
C24H33N5O2S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCNCC4
InChI
InChI=1S/C24H33N5O2S/c25-24-28-21(16-32-24)18-6-8-20(9-7-18)27-22(30)15-29(14-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h6-9,16-17,19,26H,1-5,10-15H2,(H2,25,28)(H,27,30)
InChIKey
SQLYWBHHNGYXHC-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.2355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.24278 203.5
[M+Na]+ 478.22472 201.2
[M-H]- 454.22822 210.4
[M+NH4]+ 473.26932 209.0
[M+K]+ 494.19866 196.1
[M+H-H2O]+ 438.23276 192.7
[M+HCOO]- 500.23370 212.3
[M+CH3COO]- 514.24935 207.8
[M+Na-2H]- 476.21017 198.7
[M]+ 455.23495 194.4
[M]- 455.23605 194.4
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.