CID 135585541

Nsc732380

Structural Information

Molecular Formula
C19H11N5O3S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=CC=CC5=NC4=O)O
InChI
InChI=1S/C19H11N5O3S/c25-15-13(11-8-4-5-9-12(11)20-15)14-16(26)21-19(28-14)22-18-24-23-17(27-18)10-6-2-1-3-7-10/h1-9,26H,(H,21,22,24)
InChIKey
HCGLDJQBUBYJHJ-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[(5-phenyl-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

389.05826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06554 184.2
[M+Na]+ 412.04748 198.4
[M-H]- 388.05098 196.7
[M+NH4]+ 407.09208 195.7
[M+K]+ 428.02142 193.2
[M+H-H2O]+ 372.05552 177.3
[M+HCOO]- 434.05646 204.5
[M+CH3COO]- 448.07211 196.7
[M+Na-2H]- 410.03293 184.7
[M]+ 389.05771 192.7
[M]- 389.05881 192.7
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.