CID 476586

6-methyl-4-phenyl-n-propyl-pyrazolo[3,4-d]triazole-3-carboxamide

Structural Information

Molecular Formula
C14H16N6O
SMILES
CCCNC(=O)N1C2=C(C(=NN2C3=CC=CC=C3)C)N=N1
InChI
InChI=1S/C14H16N6O/c1-3-9-15-14(21)20-13-12(16-18-20)10(2)17-19(13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,21)
InChIKey
CPFQOHGCMVSBMI-UHFFFAOYSA-N
Compound name
6-methyl-4-phenyl-N-propylpyrazolo[3,4-d]triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.13855 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14583 165.9
[M+Na]+ 307.12777 176.6
[M-H]- 283.13127 168.7
[M+NH4]+ 302.17237 179.6
[M+K]+ 323.10171 172.0
[M+H-H2O]+ 267.13581 155.8
[M+HCOO]- 329.13675 186.9
[M+CH3COO]- 343.15240 177.3
[M+Na-2H]- 305.11322 169.4
[M]+ 284.13800 169.9
[M]- 284.13910 169.9
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.