CID 5272494

N-benzyl-n-[2-[4-[2-(methylamino)thiazol-4-yl]anilino]-2-oxo-ethyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
CNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4CCCCC4
InChI
InChI=1S/C26H30N4O2S/c1-27-26-29-23(18-33-26)20-12-14-22(15-13-20)28-24(31)17-30(16-19-8-4-2-5-9-19)25(32)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16-17H2,1H3,(H,27,29)(H,28,31)
InChIKey
MGTCOAQLNWHDPK-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-[4-[2-(methylamino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20895 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 209.1
[M+Na]+ 485.19817 209.3
[M-H]- 461.20167 220.0
[M+NH4]+ 480.24277 216.7
[M+K]+ 501.17211 204.3
[M+H-H2O]+ 445.20621 198.0
[M+HCOO]- 507.20715 224.7
[M+CH3COO]- 521.22280 240.0
[M+Na-2H]- 483.18362 206.8
[M]+ 462.20840 206.8
[M]- 462.20950 206.8
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.