CID 108611

54600-85-0

Structural Information

Molecular Formula
C18H16N2
SMILES
CC1=C(N=C(C(=N1)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey
QMTUIVOFVMSPAE-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3,6-diphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.13135 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 161.7
[M+Na]+ 283.12057 170.8
[M-H]- 259.12407 169.0
[M+NH4]+ 278.16517 175.5
[M+K]+ 299.09451 164.6
[M+H-H2O]+ 243.12861 151.4
[M+HCOO]- 305.12955 183.2
[M+CH3COO]- 319.14520 173.6
[M+Na-2H]- 281.10602 167.9
[M]+ 260.13080 161.5
[M]- 260.13190 161.5
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.