CID 390238

Nsc687530

Structural Information

Molecular Formula
C24H18ClN3O
SMILES
COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H18ClN3O/c1-16-24-26-21-5-3-4-6-22(21)27(24)15-23(17-7-9-18(25)10-8-17)28(16)19-11-13-20(29-2)14-12-19/h3-15H,1H2,2H3
InChIKey
JNTPYVZPPWCPLS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-methylidenepyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.11383 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12111 199.1
[M+Na]+ 422.10305 211.3
[M-H]- 398.10655 207.1
[M+NH4]+ 417.14765 210.5
[M+K]+ 438.07699 201.4
[M+H-H2O]+ 382.11109 187.1
[M+HCOO]- 444.11203 212.6
[M+CH3COO]- 458.12768 208.9
[M+Na-2H]- 420.08850 201.2
[M]+ 399.11328 203.5
[M]- 399.11438 203.5
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.