CID 135491527

Chembl228953

Structural Information

Molecular Formula
C15H13N5O4S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/S1)CC=C
InChI
InChI=1S/C15H13N5O4S/c1-3-6-19-14(22)8(2)25-15(19)18-17-12-10-7-9(20(23)24)4-5-11(10)16-13(12)21/h3-5,7-8H,1,6H2,2H3,(H,16,17,21)/b18-15+
InChIKey
UDRAZLJPAPSOLJ-OBGWFSINSA-N
Compound name
(2E)-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.06882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.07610 181.9
[M+Na]+ 382.05804 188.9
[M-H]- 358.06154 188.9
[M+NH4]+ 377.10264 196.2
[M+K]+ 398.03198 179.7
[M+H-H2O]+ 342.06608 179.0
[M+HCOO]- 404.06702 200.6
[M+CH3COO]- 418.08267 211.9
[M+Na-2H]- 380.04349 182.9
[M]+ 359.06827 180.7
[M]- 359.06937 180.7
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.