CID 5272247

Benzamide, n-[4-[[[[1-(2-benzofuranyl)ethyl]amino]carbonyl]amino]-2-cyanophenyl]-2-fluoro-

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
CN(C1=CC=C(C=C1)C2=CSC(=N2)N)C(=O)CN(CC3=CC=CC=C3)C(=O)C4CCCCC4
InChI
InChI=1S/C26H30N4O2S/c1-29(22-14-12-20(13-15-22)23-18-33-26(27)28-23)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,(H2,27,28)
InChIKey
RMWWXSRFFLBYGK-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20895 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 210.8
[M+Na]+ 485.19817 211.1
[M-H]- 461.20167 222.7
[M+NH4]+ 480.24277 218.8
[M+K]+ 501.17211 207.2
[M+H-H2O]+ 445.20621 199.7
[M+HCOO]- 507.20715 226.2
[M+CH3COO]- 521.22280 242.6
[M+Na-2H]- 483.18362 206.8
[M]+ 462.20840 208.8
[M]- 462.20950 208.8
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.