CID 390232

Nsc687524

Structural Information

Molecular Formula
C24H19N3
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5
InChI
InChI=1S/C24H19N3/c1-17-12-14-19(15-13-17)23-16-26-22-11-7-6-10-21(22)25-24(26)18(2)27(23)20-8-4-3-5-9-20/h3-16H,2H2,1H3
InChIKey
CECIKOFNEZAOAI-UHFFFAOYSA-N
Compound name
1-methylidene-3-(4-methylphenyl)-2-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

349.1579 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16518 188.1
[M+Na]+ 372.14712 199.0
[M-H]- 348.15062 196.2
[M+NH4]+ 367.19172 200.6
[M+K]+ 388.12106 189.4
[M+H-H2O]+ 332.15516 176.2
[M+HCOO]- 394.15610 206.2
[M+CH3COO]- 408.17175 198.3
[M+Na-2H]- 370.13257 191.6
[M]+ 349.15735 188.4
[M]- 349.15845 188.4
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.