CID 5272605

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

Structural Information

Molecular Formula
C26H24N4O3S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2O)C(=O)CNC(=O)C3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H24N4O3S/c27-26-29-22(17-34-26)19-10-12-20(13-11-19)25(33)28-14-24(32)30(15-18-6-2-1-3-7-18)16-21-8-4-5-9-23(21)31/h1-13,17,31H,14-16H2,(H2,27,29)(H,28,33)
InChIKey
MHUPQZWEBQWKLN-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(2-hydroxyphenyl)methyl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.15692 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16420 211.1
[M+Na]+ 495.14614 214.3
[M-H]- 471.14964 221.8
[M+NH4]+ 490.19074 217.7
[M+K]+ 511.12008 208.5
[M+H-H2O]+ 455.15418 200.3
[M+HCOO]- 517.15512 228.8
[M+CH3COO]- 531.17077 218.2
[M+Na-2H]- 493.13159 209.7
[M]+ 472.15637 211.8
[M]- 472.15747 211.8
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.