CID 384468

1-methyl-3-phenylpyrazino[1,2-a]benzimidazole

Structural Information

Molecular Formula
C17H13N3
SMILES
CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3/c1-12-17-19-14-9-5-6-10-16(14)20(17)11-15(18-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey
OZEPKGBSALEXRT-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.11096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11824 159.7
[M+Na]+ 282.10018 171.6
[M-H]- 258.10368 165.1
[M+NH4]+ 277.14478 176.4
[M+K]+ 298.07412 164.6
[M+H-H2O]+ 242.10822 149.8
[M+HCOO]- 304.10916 180.6
[M+CH3COO]- 318.12481 172.3
[M+Na-2H]- 280.08563 167.7
[M]+ 259.11041 162.0
[M]- 259.11151 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.