CID 384473

Nsc674275

Structural Information

Molecular Formula
C18H15N3
SMILES
CC1=C(N=C(C2=NC3=CC=CC=C3N12)C)C4=CC=CC=C4
InChI
InChI=1S/C18H15N3/c1-12-18-20-15-10-6-7-11-16(15)21(18)13(2)17(19-12)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKey
WLHLQWNVRWRKRJ-UHFFFAOYSA-N
Compound name
1,4-dimethyl-3-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13388 165.1
[M+Na]+ 296.11582 177.4
[M-H]- 272.11932 170.7
[M+NH4]+ 291.16042 181.5
[M+K]+ 312.08976 170.2
[M+H-H2O]+ 256.12386 155.2
[M+HCOO]- 318.12480 185.6
[M+CH3COO]- 332.14045 177.5
[M+Na-2H]- 294.10127 171.7
[M]+ 273.12605 168.1
[M]- 273.12715 168.1
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.