CID 50572

Glycine, 2-(5-phenyl-3-as-triazinyl)hydrazide, dihydrobromide, hydrate

Structural Information

Molecular Formula
C11H12N6O
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)C(C(=O)NN)N
InChI
InChI=1S/C11H12N6O/c12-9(11(18)16-13)10-15-8(6-14-17-10)7-4-2-1-3-5-7/h1-6,9H,12-13H2,(H,16,18)
InChIKey
GFZBIXBJJXFWFW-UHFFFAOYSA-N
Compound name
2-amino-2-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10725 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11453 153.5
[M+Na]+ 267.09647 159.6
[M-H]- 243.09997 155.7
[M+NH4]+ 262.14107 164.9
[M+K]+ 283.07041 155.9
[M+H-H2O]+ 227.10451 143.5
[M+HCOO]- 289.10545 175.2
[M+CH3COO]- 303.12110 198.8
[M+Na-2H]- 265.08192 160.1
[M]+ 244.10670 148.9
[M]- 244.10780 148.9
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

patents stripe