CID 15333432

152828-24-5

Structural Information

Molecular Formula
C14H15N5O2
SMILES
CC(C)(C)C1=CC2=NC(=NN2N1)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N5O2/c1-14(2,3)11-8-12-15-13(17-18(12)16-11)9-4-6-10(7-5-9)19(20)21/h4-8,16H,1-3H3
InChIKey
IWQDZGAJLRDLMQ-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-(4-nitrophenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.1226 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 160.2
[M+Na]+ 308.11182 173.5
[M+NH4]+ 303.15642 166.4
[M+K]+ 324.08576 175.0
[M-H]- 284.11532 162.1
[M+Na-2H]- 306.09727 166.5
[M]+ 285.12205 162.4
[M]- 285.12315 162.4
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.