CID 3451445

2-(1,3-benzoxazol-2-ylsulfanyl)-n'-[(3z)-5-nitro-2-oxo-1,2-dihydro-3h-indol-3-ylidene]acetohydrazide

Structural Information

Molecular Formula
C17H11N5O5S
SMILES
C1=CC=C2C(=C1)N=C(O2)SCC(=O)N=NC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O
InChI
InChI=1S/C17H11N5O5S/c23-14(8-28-17-19-12-3-1-2-4-13(12)27-17)20-21-15-10-7-9(22(25)26)5-6-11(10)18-16(15)24/h1-7,18,24H,8H2
InChIKey
KFGVCJSRNLQLOA-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0481 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05538 183.8
[M+Na]+ 420.03732 196.5
[M+NH4]+ 415.08192 189.7
[M+K]+ 436.01126 195.6
[M-H]- 396.04082 189.5
[M+Na-2H]- 418.02277 189.3
[M]+ 397.04755 187.3
[M]- 397.04865 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.