CID 390234

Nsc687526

Structural Information

Molecular Formula
C25H21N3O
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC
InChI
InChI=1S/C25H21N3O/c1-17-8-10-19(11-9-17)24-16-27-23-7-5-4-6-22(23)26-25(27)18(2)28(24)20-12-14-21(29-3)15-13-20/h4-16H,2H2,1,3H3
InChIKey
KUVYRUCQWNOKGH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-methylidene-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.16846 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17574 196.7
[M+Na]+ 402.15768 207.7
[M-H]- 378.16118 205.0
[M+NH4]+ 397.20228 208.1
[M+K]+ 418.13162 198.7
[M+H-H2O]+ 362.16572 184.6
[M+HCOO]- 424.16666 214.5
[M+CH3COO]- 438.18231 206.6
[M+Na-2H]- 400.14313 198.9
[M]+ 379.16791 199.1
[M]- 379.16901 199.1
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.