CID 3076268

7-butyl-6-phenyl-1h-imidazo(1,2-b)pyrazole

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

2
Patents

239.14224 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 155.1
[M+Na]+ 262.13146 165.0
[M-H]- 238.13496 158.2
[M+NH4]+ 257.17606 172.9
[M+K]+ 278.10540 159.3
[M+H-H2O]+ 222.13950 146.5
[M+HCOO]- 284.14044 176.6
[M+CH3COO]- 298.15609 167.4
[M+Na-2H]- 260.11691 158.9
[M]+ 239.14169 156.9
[M]- 239.14279 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