CID 5342528

2-(1h-benzimidazol-2-ylsulfanyl)-n'-[(e)-(2-bromophenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C16H13BrN4OS
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)Br
InChI
InChI=1S/C16H13BrN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9+
InChIKey
KIOFJPKLBALTHE-GIJQJNRQSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

387.99933 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00661 170.0
[M+Na]+ 410.98855 181.9
[M-H]- 386.99205 178.1
[M+NH4]+ 406.03315 185.9
[M+K]+ 426.96249 167.6
[M+H-H2O]+ 370.99659 168.0
[M+HCOO]- 432.99753 187.8
[M+CH3COO]- 447.01318 182.9
[M+Na-2H]- 408.97400 176.5
[M]+ 387.99878 191.4
[M]- 387.99988 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.