CID 384470

Nsc674272

Structural Information

Molecular Formula
C17H12ClN3
SMILES
CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN3/c1-11-17-20-14-4-2-3-5-16(14)21(17)10-15(19-11)12-6-8-13(18)9-7-12/h2-10H,1H3
InChIKey
DXWQHDWBGAZUQA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-methylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07196 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07924 167.3
[M+Na]+ 316.06118 180.7
[M-H]- 292.06468 172.6
[M+NH4]+ 311.10578 183.6
[M+K]+ 332.03512 172.4
[M+H-H2O]+ 276.06922 157.5
[M+HCOO]- 338.07016 183.3
[M+CH3COO]- 352.08581 179.6
[M+Na-2H]- 314.04663 173.8
[M]+ 293.07141 172.1
[M]- 293.07251 172.1
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.