CID 3076268

Dtxsid70926824

Structural Information

Molecular Formula
C15H17N3
SMILES
CCCCC1=C(NN2C1=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3/c1-2-3-9-13-14(12-7-5-4-6-8-12)17-18-11-10-16-15(13)18/h4-8,10-11,17H,2-3,9H2,1H3
InChIKey
XDKKGMMTJLTPON-UHFFFAOYSA-N
Compound name
7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.149516 155.1
[M+Na]+ 262.131458 165.0
[M-H]- 238.134964 158.2
[M+NH4]+ 257.176063 172.9
[M+K]+ 278.105398 159.3
[M+H-H2O]+ 222.139500 146.5
[M+HCOO]- 284.140441 176.6
[M+CH3COO]- 298.156091 167.4
[M+Na-2H]- 260.116906 158.9
[M]+ 239.14169142 156.9
[M]- 239.14278858 156.9
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