CID 51094

Alanine, 2-(5-(3-chlorophenyl)-3-as-triazinyl)hydrazide, dihydrobromide, hydrate

Structural Information

Molecular Formula
C12H13ClN6O
SMILES
CC(C(=O)NNC1=NC(=CN=N1)C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C12H13ClN6O/c1-7(14)11(20)17-19-12-16-10(6-15-18-12)8-3-2-4-9(13)5-8/h2-7H,14H2,1H3,(H,17,20)(H,16,18,19)
InChIKey
GIWLOOJCKWBFOE-UHFFFAOYSA-N
Compound name
2-amino-N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09120 164.5
[M+Na]+ 315.07314 171.7
[M-H]- 291.07664 167.0
[M+NH4]+ 310.11774 175.3
[M+K]+ 331.04708 166.5
[M+H-H2O]+ 275.08118 154.9
[M+HCOO]- 337.08212 181.9
[M+CH3COO]- 351.09777 207.1
[M+Na-2H]- 313.05859 170.2
[M]+ 292.08337 163.7
[M]- 292.08447 163.7
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.