CID 3781346

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-n'-[(3z)-5-nitro-2-oxo-1,2-dihydro-3h-indol-3-ylidene]acetohydrazide

Structural Information

Molecular Formula
C13H10N6O4S2
SMILES
CC1=NN=C(S1)SCC(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C13H10N6O4S2/c1-6-15-18-13(25-6)24-5-10(20)16-17-11-8-4-7(19(22)23)2-3-9(8)14-12(11)21/h2-4,14,21H,5H2,1H3
InChIKey
SFSSYHWTBZTDQX-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.02778 176.3
[M+Na]+ 401.00972 186.1
[M+NH4]+ 396.05432 181.6
[M+K]+ 416.98366 184.4
[M-H]- 377.01322 179.2
[M+Na-2H]- 398.99517 180.5
[M]+ 378.01995 178.8
[M]- 378.02105 178.8
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

No patent data available for this compound.