CID 460589

2-(1h-benzimidazol-2-ylsulfanyl)-n'-[(3e)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]acetohydrazide

Structural Information

Molecular Formula
C17H13N5O2S
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)CSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H13N5O2S/c23-14(9-25-17-19-12-7-3-4-8-13(12)20-17)21-22-15-10-5-1-2-6-11(10)18-16(15)24/h1-8,18,24H,9H2,(H,19,20)
InChIKey
RKZSGFXYNPECBB-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

351.079 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08628 175.8
[M+Na]+ 374.06822 187.0
[M-H]- 350.07172 181.5
[M+NH4]+ 369.11282 190.3
[M+K]+ 390.04216 180.4
[M+H-H2O]+ 334.07626 168.4
[M+HCOO]- 396.07720 195.1
[M+CH3COO]- 410.09285 187.1
[M+Na-2H]- 372.05367 180.6
[M]+ 351.07845 181.3
[M]- 351.07955 181.3
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.