CID 5272603

4-(2-aminothiazol-4-yl)-n-[2-[benzyl-[(2-hydroxy-3-methoxy-phenyl)methyl]amino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C27H26N4O4S
SMILES
COC1=CC=CC(=C1O)CN(CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C27H26N4O4S/c1-35-23-9-5-8-21(25(23)33)16-31(15-18-6-3-2-4-7-18)24(32)14-29-26(34)20-12-10-19(11-13-20)22-17-36-27(28)30-22/h2-13,17,33H,14-16H2,1H3,(H2,28,30)(H,29,34)
InChIKey
OVDXUQLJRPYRTB-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(2-hydroxy-3-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.16748 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.17476 218.7
[M+Na]+ 525.15670 221.8
[M-H]- 501.16020 229.6
[M+NH4]+ 520.20130 224.1
[M+K]+ 541.13064 216.8
[M+H-H2O]+ 485.16474 207.7
[M+HCOO]- 547.16568 236.2
[M+CH3COO]- 561.18133 246.1
[M+Na-2H]- 523.14215 216.5
[M]+ 502.16693 221.5
[M]- 502.16803 221.5
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.