CID 3053019

As-triazine, 3-(2-methylhydrazino)-5-phenyl-

Structural Information

Molecular Formula
C10H11N5
SMILES
CNNC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N5/c1-11-14-10-13-9(7-12-15-10)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,13,14,15)
InChIKey
VRMBXAUHRGOOOK-UHFFFAOYSA-N
Compound name
1-methyl-2-(5-phenyl-1,2,4-triazin-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

201.10144 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.108716 142.6
[M+Na]+ 224.090658 150.3
[M-H]- 200.094164 145.4
[M+NH4]+ 219.135263 156.8
[M+K]+ 240.064598 146.3
[M+H-H2O]+ 184.098700 132.8
[M+HCOO]- 246.099641 166.3
[M+CH3COO]- 260.115291 154.5
[M+Na-2H]- 222.076106 153.4
[M]+ 201.10089142 140.8
[M]- 201.10198858 140.8
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

patents stripe