CID 476588

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

Structural Information

Molecular Formula
C15H18N6O
SMILES
CC1=NN(C2=C1N=NN2C(=O)NC(C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C15H18N6O/c1-10-12-13(20(18-10)11-8-6-5-7-9-11)21(19-17-12)14(22)16-15(2,3)4/h5-9H,1-4H3,(H,16,22)
InChIKey
HSNWQKIFIBCVOU-UHFFFAOYSA-N
Compound name
N-tert-butyl-6-methyl-4-phenylpyrazolo[3,4-d]triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16148 172.9
[M+Na]+ 321.14342 183.5
[M-H]- 297.14692 176.1
[M+NH4]+ 316.18802 186.3
[M+K]+ 337.11736 179.3
[M+H-H2O]+ 281.15146 163.6
[M+HCOO]- 343.15240 191.9
[M+CH3COO]- 357.16805 184.0
[M+Na-2H]- 319.12887 176.7
[M]+ 298.15365 176.6
[M]- 298.15475 176.6
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.