CID 15336072

4-(4-bromophenyl)-5-(2-furyl)-1,2,4-triazole-3-yl]mercaptoacetylhydrazide

Structural Information

Molecular Formula
C14H12BrN5O2S
SMILES
C1=COC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NN
InChI
InChI=1S/C14H12BrN5O2S/c15-9-3-5-10(6-4-9)20-13(11-2-1-7-22-11)18-19-14(20)23-8-12(21)17-16/h1-7H,8,16H2,(H,17,21)
InChIKey
YOVRJZLPFWDLPM-UHFFFAOYSA-N
Compound name
2-[[4-(4-bromophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.9895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99678 170.4
[M+Na]+ 415.97872 183.7
[M-H]- 391.98222 181.1
[M+NH4]+ 411.02332 184.3
[M+K]+ 431.95266 171.9
[M+H-H2O]+ 375.98676 168.4
[M+HCOO]- 437.98770 188.8
[M+CH3COO]- 452.00335 184.1
[M+Na-2H]- 413.96417 173.3
[M]+ 392.98895 193.2
[M]- 392.99005 193.2
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.