CID 390236

Nsc687528

Structural Information

Molecular Formula
C25H21N3O2
SMILES
COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC
InChI
InChI=1S/C25H21N3O2/c1-17-25-26-22-6-4-5-7-23(22)27(25)16-24(18-8-12-20(29-2)13-9-18)28(17)19-10-14-21(30-3)15-11-19/h4-16H,1H2,2-3H3
InChIKey
BAAVUEUCQDKHRP-UHFFFAOYSA-N
Compound name
2,3-bis(4-methoxyphenyl)-1-methylidenepyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.1634 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 199.7
[M+Na]+ 418.15262 210.3
[M-H]- 394.15612 208.0
[M+NH4]+ 413.19722 210.2
[M+K]+ 434.12656 202.1
[M+H-H2O]+ 378.16066 187.3
[M+HCOO]- 440.16160 217.6
[M+CH3COO]- 454.17725 209.3
[M+Na-2H]- 416.13807 201.9
[M]+ 395.16285 203.3
[M]- 395.16395 203.3
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.