CID 49801966

938461-49-5

Structural Information

Molecular Formula
C16H11IN4
SMILES
C1=CC(=CC=C1C2=CC=NN2)C3=CN4C=C(C=CC4=N3)[123I]
InChI
InChI=1S/C16H11IN4/c17-13-5-6-16-19-15(10-21(16)9-13)12-3-1-11(2-4-12)14-7-8-18-20-14/h1-10H,(H,18,20)/i17-4
InChIKey
OLFQWTDIJLVADS-HHRLKWFBSA-N
Compound name
6-(123I)iodanyl-2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

382.00397 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01125 158.6
[M+Na]+ 404.99319 163.0
[M-H]- 380.99669 156.9
[M+NH4]+ 400.03779 168.4
[M+K]+ 420.96713 161.7
[M+H-H2O]+ 365.00123 145.5
[M+HCOO]- 427.00217 174.7
[M+CH3COO]- 441.01782 166.6
[M+Na-2H]- 402.97864 152.5
[M]+ 382.00342 156.7
[M]- 382.00452 156.7
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