CID 15399288

2,3-diphenyl-5-iodopyrazine

Structural Information

Molecular Formula
C16H11IN2
SMILES
C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)I
InChI
InChI=1S/C16H11IN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKey
GMFDQAGDXHMFNO-UHFFFAOYSA-N
Compound name
5-iodo-2,3-diphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

357.9967 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00398 160.8
[M+Na]+ 380.98592 162.3
[M-H]- 356.98942 160.0
[M+NH4]+ 376.03052 169.8
[M+K]+ 396.95986 162.2
[M+H-H2O]+ 340.99396 147.0
[M+HCOO]- 402.99490 177.5
[M+CH3COO]- 417.01055 168.3
[M+Na-2H]- 378.97137 157.0
[M]+ 357.99615 156.8
[M]- 357.99725 156.8
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