CID 15333433

152828-25-6

Structural Information

Molecular Formula
C14H17N5
SMILES
CC(C)(C)C1=CC2=NC(=NN2N1)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H17N5/c1-14(2,3)11-8-12-16-13(18-19(12)17-11)9-4-6-10(15)7-5-9/h4-8,17H,15H2,1-3H3
InChIKey
YSZXPOQOSPQIFI-UHFFFAOYSA-N
Compound name
4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

255.14839 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 158.0
[M+Na]+ 278.13761 170.5
[M+NH4]+ 273.18221 164.8
[M+K]+ 294.11155 168.9
[M-H]- 254.14111 159.5
[M+Na-2H]- 276.12306 164.5
[M]+ 255.14784 160.1
[M]- 255.14894 160.1
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

patents stripe