CID 476587

N-ethyl-6-methyl-4-phenyl-pyrazolo[3,4-d]triazole-3-carboxamide

Structural Information

Molecular Formula
C13H14N6O
SMILES
CCNC(=O)N1C2=C(C(=NN2C3=CC=CC=C3)C)N=N1
InChI
InChI=1S/C13H14N6O/c1-3-14-13(20)19-12-11(15-17-19)9(2)16-18(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,20)
InChIKey
KGOQSVGEUJFKLF-UHFFFAOYSA-N
Compound name
N-ethyl-6-methyl-4-phenylpyrazolo[3,4-d]triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.1229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13018 161.5
[M+Na]+ 293.11212 172.7
[M-H]- 269.11562 164.5
[M+NH4]+ 288.15672 175.8
[M+K]+ 309.08606 168.3
[M+H-H2O]+ 253.12016 151.6
[M+HCOO]- 315.12110 182.8
[M+CH3COO]- 329.13675 173.4
[M+Na-2H]- 291.09757 165.5
[M]+ 270.12235 165.2
[M]- 270.12345 165.2
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.