CID 135424873

Nsc733407

Structural Information

Molecular Formula
C20H13N5O4S
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=CC=CC5=NC4=O)O
InChI
InChI=1S/C20H13N5O4S/c1-28-11-8-6-10(7-9-11)18-24-25-19(29-18)23-20-22-17(27)15(30-20)14-12-4-2-3-5-13(12)21-16(14)26/h2-9,27H,1H3,(H,22,23,25)
InChIKey
NGSXNZAQXBYGAN-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.06882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07610 192.1
[M+Na]+ 442.05804 206.0
[M-H]- 418.06154 204.8
[M+NH4]+ 437.10264 202.3
[M+K]+ 458.03198 201.4
[M+H-H2O]+ 402.06608 185.1
[M+HCOO]- 464.06702 212.1
[M+CH3COO]- 478.08267 204.2
[M+Na-2H]- 440.04349 191.7
[M]+ 419.06827 202.5
[M]- 419.06937 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.