CID 51131

Brn 0826753

Structural Information

Molecular Formula
C13H13Cl2N5O
SMILES
C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)CCCCl)Cl
InChI
InChI=1S/C13H13Cl2N5O/c14-7-1-2-12(21)18-20-13-17-11(8-16-19-13)9-3-5-10(15)6-4-9/h3-6,8H,1-2,7H2,(H,18,21)(H,17,19,20)
InChIKey
UKINOWWQEQRAEZ-UHFFFAOYSA-N
Compound name
4-chloro-N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0497 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05698 169.6
[M+Na]+ 348.03892 177.6
[M-H]- 324.04242 171.2
[M+NH4]+ 343.08352 180.1
[M+K]+ 364.01286 170.9
[M+H-H2O]+ 308.04696 160.0
[M+HCOO]- 370.04790 181.8
[M+CH3COO]- 384.06355 208.7
[M+Na-2H]- 346.02437 175.5
[M]+ 325.04915 172.3
[M]- 325.05025 172.3
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.