CID 371975

Nsc646789

Structural Information

Molecular Formula
C24H19Cl2N5O5S
SMILES
CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl)C
InChI
InChI=1S/C24H19Cl2N5O5S/c1-3-35-19-7-5-4-6-16(19)28-21(34)18(33)11-17(32)20-12(2)27-24(37-20)29-23-31-30-22(36-23)13-8-9-14(25)15(26)10-13/h4-10H,3,11H2,1-2H3,(H,28,34)(H,27,29,31)
InChIKey
QFXDYDVJPDBBEO-UHFFFAOYSA-N
Compound name
4-[2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-N-(2-ethoxyphenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.0484 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.05568 227.1
[M+Na]+ 582.03762 235.8
[M-H]- 558.04112 238.8
[M+NH4]+ 577.08222 231.2
[M+K]+ 598.01156 231.0
[M+H-H2O]+ 542.04566 218.3
[M+HCOO]- 604.04660 235.1
[M+CH3COO]- 618.06225 248.9
[M+Na-2H]- 580.02307 222.5
[M]+ 559.04785 239.5
[M]- 559.04895 239.5
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.