CID 5272296

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[[4-(cyclohexylmethyl)phenyl]methylamino]acetamide

Structural Information

Molecular Formula
C25H30N4OS
SMILES
C1CCC(CC1)CC2=CC=C(C=C2)CNCC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H30N4OS/c26-25-29-23(17-31-25)21-10-12-22(13-11-21)28-24(30)16-27-15-20-8-6-19(7-9-20)14-18-4-2-1-3-5-18/h6-13,17-18,27H,1-5,14-16H2,(H2,26,29)(H,28,30)
InChIKey
CXZOFWCSGWFXOI-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[4-(cyclohexylmethyl)phenyl]methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.21402 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22130 200.7
[M+Na]+ 457.20324 202.7
[M-H]- 433.20674 210.2
[M+NH4]+ 452.24784 209.3
[M+K]+ 473.17718 195.2
[M+H-H2O]+ 417.21128 190.2
[M+HCOO]- 479.21222 216.4
[M+CH3COO]- 493.22787 207.6
[M+Na-2H]- 455.18869 198.8
[M]+ 434.21347 196.4
[M]- 434.21457 196.4
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.