CID 456892

146495-61-6

Structural Information

Molecular Formula
C15H16N6O3
SMILES
CCOC(=O)CNC(=O)N1C2=C(C(=NN2C3=CC=CC=C3)C)N=N1
InChI
InChI=1S/C15H16N6O3/c1-3-24-12(22)9-16-15(23)21-14-13(17-19-21)10(2)18-20(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,23)
InChIKey
IQUBUTALJYRNRY-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methyl-4-phenylpyrazolo[3,4-d]triazole-3-carbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1284 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13568 174.7
[M+Na]+ 351.11762 184.4
[M-H]- 327.12112 177.7
[M+NH4]+ 346.16222 186.3
[M+K]+ 367.09156 180.9
[M+H-H2O]+ 311.12566 164.6
[M+HCOO]- 373.12660 194.9
[M+CH3COO]- 387.14225 209.1
[M+Na-2H]- 349.10307 176.9
[M]+ 328.12785 180.3
[M]- 328.12895 180.3
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.