CID 374033

Nsc651212

Structural Information

Molecular Formula
C24H17N5
SMILES
C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C4=NC=CN=C4)C5=NC=CN=C5
InChI
InChI=1S/C24H17N5/c1-3-7-17(8-4-1)23-21(19-15-25-11-13-27-19)22(20-16-26-12-14-28-20)24(29-23)18-9-5-2-6-10-18/h1-16,29H
InChIKey
CGJZBSYAHBECPN-UHFFFAOYSA-N
Compound name
2-(2,5-diphenyl-4-pyrazin-2-yl-1H-pyrrol-3-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15568 190.8
[M+Na]+ 398.13762 198.8
[M-H]- 374.14112 198.5
[M+NH4]+ 393.18222 195.2
[M+K]+ 414.11156 188.2
[M+H-H2O]+ 358.14566 176.3
[M+HCOO]- 420.14660 207.1
[M+CH3COO]- 434.16225 198.6
[M+Na-2H]- 396.12307 194.7
[M]+ 375.14785 187.3
[M]- 375.14895 187.3
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.