CID 5272405

Acetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-2-[(2,6-dimethylphenyl)thio]-n-(phenylmethyl)-

Structural Information

Molecular Formula
C28H28N4O2S2
SMILES
CC1=C(C(=CC=C1)C)SCC(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C28H28N4O2S2/c1-19-7-6-8-20(2)27(19)35-18-26(34)32(15-21-9-4-3-5-10-21)16-25(33)30-23-13-11-22(12-14-23)24-17-36-28(29)31-24/h3-14,17H,15-16,18H2,1-2H3,(H2,29,31)(H,30,33)
InChIKey
YNNMAQINFMCLKT-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl-[2-(2,6-dimethylphenyl)sulfanylacetyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.16534 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.17262 222.7
[M+Na]+ 539.15456 226.9
[M-H]- 515.15806 233.9
[M+NH4]+ 534.19916 229.0
[M+K]+ 555.12850 219.3
[M+H-H2O]+ 499.16260 212.4
[M+HCOO]- 561.16354 235.6
[M+CH3COO]- 575.17919 229.2
[M+Na-2H]- 537.14001 219.6
[M]+ 516.16479 225.9
[M]- 516.16589 225.9
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.