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 177.7
[M+Na]+ 401.00972 186.3
[M-H]- 377.01322 183.3
[M+NH4]+ 396.05432 189.6
[M+K]+ 416.98366 176.9
[M+H-H2O]+ 361.01776 174.9
[M+HCOO]- 423.01870 193.3
[M+CH3COO]- 437.03435 210.1
[M+Na-2H]- 398.99517 182.6
[M]+ 378.01995 181.2
[M]- 378.02105 181.2
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.