CID 3076269

130598-86-6

Structural Information

Molecular Formula
C14H13N3
SMILES
C=CCC1=C(NN2C1=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3/c1-2-6-12-13(11-7-4-3-5-8-11)16-17-10-9-15-14(12)17/h2-5,7-10,16H,1,6H2
InChIKey
UZRQNAIRFWXSGR-UHFFFAOYSA-N
Compound name
6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 149.9
[M+Na]+ 246.100168 160.6
[M-H]- 222.103674 153.2
[M+NH4]+ 241.144773 168.2
[M+K]+ 262.074108 154.5
[M+H-H2O]+ 206.108210 141.6
[M+HCOO]- 268.109151 171.9
[M+CH3COO]- 282.124801 162.7
[M+Na-2H]- 244.085616 154.2
[M]+ 223.11040142 150.7
[M]- 223.11149858 150.7
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

No patent data available for this compound.