CID 384471

Nsc674273

Structural Information

Molecular Formula
C18H15N3O
SMILES
CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H15N3O/c1-12-18-20-15-5-3-4-6-17(15)21(18)11-16(19-12)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3
InChIKey
XUVJJXREKKCPGD-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 168.3
[M+Na]+ 312.11074 180.5
[M-H]- 288.11424 174.0
[M+NH4]+ 307.15534 184.0
[M+K]+ 328.08468 173.9
[M+H-H2O]+ 272.11878 158.3
[M+HCOO]- 334.11972 189.0
[M+CH3COO]- 348.13537 180.6
[M+Na-2H]- 310.09619 175.0
[M]+ 289.12097 172.7
[M]- 289.12207 172.7
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.