CID 5272574

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

Structural Information

Molecular Formula
C32H35N5O3S
SMILES
C1COCCN1CCN(CC2=CC=CC=C2)C(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C32H35N5O3S/c33-32-34-29(24-41-32)27-11-13-28(14-12-27)31(39)37(22-26-9-5-2-6-10-26)23-30(38)36(21-25-7-3-1-4-8-25)16-15-35-17-19-40-20-18-35/h1-14,24H,15-23H2,(H2,33,34)
InChIKey
NAFCYJWOWNYQRM-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-benzyl-N-[2-[benzyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.25331 233.6
[M+Na]+ 592.23525 232.2
[M-H]- 568.23875 246.9
[M+NH4]+ 587.27985 233.6
[M+K]+ 608.20919 228.6
[M+H-H2O]+ 552.24329 220.4
[M+HCOO]- 614.24423 246.2
[M+CH3COO]- 628.25988 237.7
[M+Na-2H]- 590.22070 230.3
[M]+ 569.24548 232.9
[M]- 569.24658 232.9
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.