CID 5272407

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

Structural Information

Molecular Formula
C25H29N5O2S
SMILES
CN1CCC(CC1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H29N5O2S/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/h2-10,17,20H,11-16H2,1H3,(H2,26,28)(H,27,31)
InChIKey
YMVQBBYYACWRGE-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-1-methylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.2042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.21148 208.8
[M+Na]+ 486.19342 210.4
[M-H]- 462.19692 218.6
[M+NH4]+ 481.23802 215.1
[M+K]+ 502.16736 205.0
[M+H-H2O]+ 446.20146 197.5
[M+HCOO]- 508.20240 222.9
[M+CH3COO]- 522.21805 215.1
[M+Na-2H]- 484.17887 205.6
[M]+ 463.20365 206.2
[M]- 463.20475 206.2
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.