CID 6320086

N-benzyl-n-[2-[benzyl-[(1s)-1-phenylethyl]amino]-2-oxo-ethyl]-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C34H31N3O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC=N5
InChI
InChI=1S/C34H31N3O2S/c1-26(29-15-9-4-10-16-29)37(22-28-13-7-3-8-14-28)33(38)23-36(21-27-11-5-2-6-12-27)34(39)31-19-17-30(18-20-31)32-24-40-25-35-32/h2-20,24-26H,21-23H2,1H3/t26-/m0/s1
InChIKey
JFOKSPMFPBFHAQ-SANMLTNESA-N
Compound name
N-benzyl-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2137 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.22098 234.0
[M+Na]+ 568.20292 234.4
[M-H]- 544.20642 248.9
[M+NH4]+ 563.24752 238.0
[M+K]+ 584.17686 229.0
[M+H-H2O]+ 528.21096 221.2
[M+HCOO]- 590.21190 250.3
[M+CH3COO]- 604.22755 239.6
[M+Na-2H]- 566.18837 230.8
[M]+ 545.21315 236.0
[M]- 545.21425 236.0
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.