CID 5272589

4-(2-aminothiazol-4-yl)-n-[2-(dibenzylamino)-2-oxo-ethyl]-n-[(1s)-1-phenylethyl]benzamide

Structural Information

Molecular Formula
C34H32N4O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C34H32N4O2S/c1-25(28-15-9-4-10-16-28)38(33(40)30-19-17-29(18-20-30)31-24-41-34(35)36-31)23-32(39)37(21-26-11-5-2-6-12-26)22-27-13-7-3-8-14-27/h2-20,24-25H,21-23H2,1H3,(H2,35,36)/t25-/m0/s1
InChIKey
KDJXVCBNPGUMFB-VWLOTQADSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-(dibenzylamino)-2-oxoethyl]-N-[(1S)-1-phenylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.2246 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.231876 235.7
[M+Na]+ 583.213818 235.9
[M-H]- 559.217324 250.4
[M+NH4]+ 578.258423 238.8
[M+K]+ 599.187758 230.6
[M+H-H2O]+ 543.221860 223.0
[M+HCOO]- 605.222801 252.4
[M+CH3COO]- 619.238451 240.9
[M+Na-2H]- 581.199266 232.3
[M]+ 560.22405142 236.8
[M]- 560.22514858 236.8
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.