CID 5272581

4-(2-aminothiazol-4-yl)-n-benzyl-n-[2-[benzyl-[(2-hydroxyphenyl)methyl]amino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C33H30N4O3S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2O)C(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C33H30N4O3S/c34-33-35-29(23-41-33)26-15-17-27(18-16-26)32(40)37(20-25-11-5-2-6-12-25)22-31(39)36(19-24-9-3-1-4-10-24)21-28-13-7-8-14-30(28)38/h1-18,23,38H,19-22H2,(H2,34,35)
InChIKey
QHRSASIWZWIGKJ-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-benzyl-N-[2-[benzyl-[(2-hydroxyphenyl)methyl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.20386 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.21114 233.8
[M+Na]+ 585.19308 234.8
[M-H]- 561.19658 247.7
[M+NH4]+ 580.23768 236.3
[M+K]+ 601.16702 229.3
[M+H-H2O]+ 545.20112 221.4
[M+HCOO]- 607.20206 250.5
[M+CH3COO]- 621.21771 239.1
[M+Na-2H]- 583.17853 231.2
[M]+ 562.20331 235.1
[M]- 562.20441 235.1
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.