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 165.2
[M+Na]+ 308.11182 174.5
[M-H]- 284.11532 168.5
[M+NH4]+ 303.15642 179.0
[M+K]+ 324.08576 165.9
[M+H-H2O]+ 268.11986 161.3
[M+HCOO]- 330.12080 185.0
[M+CH3COO]- 344.13645 192.4
[M+Na-2H]- 306.09727 172.8
[M]+ 285.12205 165.2
[M]- 285.12315 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.