CID 5272361

Benzeneacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(cyclohexylmethyl)-

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2S/c27-26-29-23(18-33-26)21-11-13-22(14-12-21)28-24(31)17-30(16-20-9-5-2-6-10-20)25(32)15-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15-17H2,(H2,27,29)(H,28,31)
InChIKey
JFICCBOLRUHPLR-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20895 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 209.2
[M+Na]+ 485.19817 209.4
[M-H]- 461.20167 219.6
[M+NH4]+ 480.24277 216.5
[M+K]+ 501.17211 204.1
[M+H-H2O]+ 445.20621 198.2
[M+HCOO]- 507.20715 224.2
[M+CH3COO]- 521.22280 215.4
[M+Na-2H]- 483.18362 205.9
[M]+ 462.20840 205.9
[M]- 462.20950 205.9
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.