CID 15333433

2-(4-aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole

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

9
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 161.4
[M+Na]+ 278.13761 172.2
[M-H]- 254.14111 164.0
[M+NH4]+ 273.18221 177.1
[M+K]+ 294.11155 166.7
[M+H-H2O]+ 238.14565 153.1
[M+HCOO]- 300.14659 180.7
[M+CH3COO]- 314.16224 173.1
[M+Na-2H]- 276.12306 165.5
[M]+ 255.14784 161.7
[M]- 255.14894 161.7
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