CID 5272487

N-[4-(2-aminothiazol-4-yl)phenyl]-3-[benzyl-[(2-hydroxyphenyl)methyl]amino]propanamide

Structural Information

Molecular Formula
C26H26N4O2S
SMILES
C1=CC=C(C=C1)CN(CCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)CC4=CC=CC=C4O
InChI
InChI=1S/C26H26N4O2S/c27-26-29-23(18-33-26)20-10-12-22(13-11-20)28-25(32)14-15-30(16-19-6-2-1-3-7-19)17-21-8-4-5-9-24(21)31/h1-13,18,31H,14-17H2,(H2,27,29)(H,28,32)
InChIKey
FVUKGVSWQRTNPF-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl-[(2-hydroxyphenyl)methyl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.17764 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18492 207.5
[M+Na]+ 481.16686 211.2
[M-H]- 457.17036 218.1
[M+NH4]+ 476.21146 215.0
[M+K]+ 497.14080 204.4
[M+H-H2O]+ 441.17490 196.7
[M+HCOO]- 503.17584 226.0
[M+CH3COO]- 517.19149 215.0
[M+Na-2H]- 479.15231 207.0
[M]+ 458.17709 208.3
[M]- 458.17819 208.3
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.