CID 126200

Be-10988

Structural Information

Molecular Formula
C13H10N4O3S
SMILES
CN1C=C(C2=C1C(=O)C=C(C2=O)N)C3=NC(=CS3)C(=O)N
InChI
InChI=1S/C13H10N4O3S/c1-17-3-5(13-16-7(4-21-13)12(15)20)9-10(17)8(18)2-6(14)11(9)19/h2-4H,14H2,1H3,(H2,15,20)
InChIKey
ZLMULFPSOBULMS-UHFFFAOYSA-N
Compound name
2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

302.04736 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05464 167.8
[M+Na]+ 325.03658 178.0
[M+NH4]+ 320.08118 173.8
[M+K]+ 341.01052 175.8
[M-H]- 301.04008 169.8
[M+Na-2H]- 323.02203 170.9
[M]+ 302.04681 169.8
[M]- 302.04791 169.8
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

patents stripe