CID 5272608

4-(2-aminothiazol-4-yl)-n-benzyl-n-[2-(dibenzylamino)ethyl]benzamide

Structural Information

Molecular Formula
C33H32N4OS
SMILES
C1=CC=C(C=C1)CN(CCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CSC(=N4)N)CC5=CC=CC=C5
InChI
InChI=1S/C33H32N4OS/c34-33-35-31(25-39-33)29-16-18-30(19-17-29)32(38)37(24-28-14-8-3-9-15-28)21-20-36(22-26-10-4-1-5-11-26)23-27-12-6-2-7-13-27/h1-19,25H,20-24H2,(H2,34,35)
InChIKey
UUDXDKMQEPEVKB-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-benzyl-N-[2-(dibenzylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2297 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.23698 228.6
[M+Na]+ 555.21892 230.2
[M-H]- 531.22242 243.3
[M+NH4]+ 550.26352 233.3
[M+K]+ 571.19286 223.3
[M+H-H2O]+ 515.22696 215.6
[M+HCOO]- 577.22790 247.4
[M+CH3COO]- 591.24355 234.7
[M+Na-2H]- 553.20437 227.2
[M]+ 532.22915 229.9
[M]- 532.23025 229.9
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.