CID 5272582

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

Structural Information

Molecular Formula
C34H29F3N4O3S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2OC(F)(F)F)C(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C34H29F3N4O3S/c35-34(36,37)44-30-14-8-7-13-28(30)21-40(19-24-9-3-1-4-10-24)31(42)22-41(20-25-11-5-2-6-12-25)32(43)27-17-15-26(16-18-27)29-23-45-33(38)39-29/h1-18,23H,19-22H2,(H2,38,39)
InChIKey
LBJBPRIUMRZRFA-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-benzyl-N-[2-[benzyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.1912 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.19848 246.8
[M+Na]+ 653.18042 248.3
[M-H]- 629.18392 257.9
[M+NH4]+ 648.22502 247.2
[M+K]+ 669.15436 242.6
[M+H-H2O]+ 613.18846 231.4
[M+HCOO]- 675.18940 259.9
[M+CH3COO]- 689.20505 270.0
[M+Na-2H]- 651.16587 243.6
[M]+ 630.19065 246.9
[M]- 630.19175 246.9
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.