CID 5272422

4-piperidinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(cyclohexylmethyl)-1-methyl-

Structural Information

Molecular Formula
C25H35N5O2S
SMILES
CN1CCC(CC1)C(=O)N(CC2CCCCC2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H35N5O2S/c1-29-13-11-20(12-14-29)24(32)30(15-18-5-3-2-4-6-18)16-23(31)27-21-9-7-19(8-10-21)22-17-33-25(26)28-22/h7-10,17-18,20H,2-6,11-16H2,1H3,(H2,26,28)(H,27,31)
InChIKey
VLUXCNUVOUYJGN-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)-1-methylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.25116 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.25844 210.1
[M+Na]+ 492.24038 208.6
[M-H]- 468.24388 218.5
[M+NH4]+ 487.28498 216.0
[M+K]+ 508.21432 204.0
[M+H-H2O]+ 452.24842 199.0
[M+HCOO]- 514.24936 220.0
[M+CH3COO]- 528.26501 241.8
[M+Na-2H]- 490.22583 204.3
[M]+ 469.25061 203.4
[M]- 469.25171 203.4
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.