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]+ 389.006606 170.0
[M+Na]+ 410.988548 181.9
[M-H]- 386.992054 178.1
[M+NH4]+ 406.033153 185.9
[M+K]+ 426.962488 167.6
[M+H-H2O]+ 370.996590 168.0
[M+HCOO]- 432.997531 187.8
[M+CH3COO]- 447.013181 182.9
[M+Na-2H]- 408.973996 176.5
[M]+ 387.99878142 191.4
[M]- 387.99987858 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

patents stripe