CID 44150153

73612-27-8

Structural Information

Molecular Formula
C12H15N7O2
SMILES
CCOC1=CC=CC=C1N=NN2C(=NN(C2=O)C(=N)N)C
InChI
InChI=1S/C12H15N7O2/c1-3-21-10-7-5-4-6-9(10)15-17-18-8(2)16-19(11(13)14)12(18)20/h4-7H,3H2,1-2H3,(H3,13,14)
InChIKey
WEKMCXOUBBEKKU-UHFFFAOYSA-N
Compound name
4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-1,2,4-triazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12872 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13600 164.3
[M+Na]+ 312.11794 173.1
[M-H]- 288.12144 170.9
[M+NH4]+ 307.16254 177.9
[M+K]+ 328.09188 170.5
[M+H-H2O]+ 272.12598 153.8
[M+HCOO]- 334.12692 192.6
[M+CH3COO]- 348.14257 214.9
[M+Na-2H]- 310.10339 169.0
[M]+ 289.12817 166.4
[M]- 289.12927 166.4
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.