CID 135438376

Nsc733409

Structural Information

Molecular Formula
C20H12BrN5O4S
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Br)O
InChI
InChI=1S/C20H12BrN5O4S/c1-29-11-5-2-9(3-6-11)18-25-26-19(30-18)24-20-23-17(28)15(31-20)14-12-8-10(21)4-7-13(12)22-16(14)27/h2-8,28H,1H3,(H,23,24,26)
InChIKey
PZWWEOFYZQNYLT-UHFFFAOYSA-N
Compound name
5-bromo-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

496.97934 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.98662 194.0
[M+Na]+ 519.96856 210.6
[M-H]- 495.97206 209.0
[M+NH4]+ 515.01316 205.7
[M+K]+ 535.94250 200.2
[M+H-H2O]+ 479.97660 194.5
[M+HCOO]- 541.97754 212.2
[M+CH3COO]- 555.99319 207.8
[M+Na-2H]- 517.95401 195.0
[M]+ 496.97879 222.3
[M]- 496.97989 222.3
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.