CID 5272499

2-(cyclohexylmethylamino)-n-[4-[2-(dimethylamino)thiazol-4-yl]phenyl]acetamide

Structural Information

Molecular Formula
C20H28N4OS
SMILES
CN(C)C1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CNCC3CCCCC3
InChI
InChI=1S/C20H28N4OS/c1-24(2)20-23-18(14-26-20)16-8-10-17(11-9-16)22-19(25)13-21-12-15-6-4-3-5-7-15/h8-11,14-15,21H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKey
CCEJLSSJGIDSLI-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethylamino)-N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20568 187.9
[M+Na]+ 395.18762 189.7
[M-H]- 371.19112 196.3
[M+NH4]+ 390.23222 200.1
[M+K]+ 411.16156 185.5
[M+H-H2O]+ 355.19566 178.0
[M+HCOO]- 417.19660 204.7
[M+CH3COO]- 431.21225 224.8
[M+Na-2H]- 393.17307 186.4
[M]+ 372.19785 186.0
[M]- 372.19895 186.0
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.