CID 3053961

3-((3-chloropropionyl)hydrazino)-5-(4-chlorophenyl)-1,2,4-triazine

Structural Information

Molecular Formula
C12H11Cl2N5O
SMILES
C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)CCCl)Cl
InChI
InChI=1S/C12H11Cl2N5O/c13-6-5-11(20)17-19-12-16-10(7-15-18-12)8-1-3-9(14)4-2-8/h1-4,7H,5-6H2,(H,17,20)(H,16,18,19)
InChIKey
FTWPUJINALOGEX-UHFFFAOYSA-N
Compound name
3-chloro-N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.03406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04134 165.2
[M+Na]+ 334.02328 173.7
[M-H]- 310.02678 167.1
[M+NH4]+ 329.06788 176.4
[M+K]+ 349.99722 167.2
[M+H-H2O]+ 294.03132 155.9
[M+HCOO]- 356.03226 177.8
[M+CH3COO]- 370.04791 205.8
[M+Na-2H]- 332.00873 171.6
[M]+ 311.03351 167.6
[M]- 311.03461 167.6
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.