CID 503026

4-[2-[4-(1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazol-2-yl)phenoxy]ethyl]morpholine

Structural Information

Molecular Formula
C29H28N4O2
SMILES
C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCOCC5)C6=CC=CC=C6
InChI
InChI=1S/C29H28N4O2/c1-22-29-30-26-9-5-6-10-27(26)32(29)21-28(23-7-3-2-4-8-23)33(22)24-11-13-25(14-12-24)35-20-17-31-15-18-34-19-16-31/h2-14,21H,1,15-20H2
InChIKey
QJLCZFKGQDJPCF-UHFFFAOYSA-N
Compound name
4-[2-[4-(1-methylidene-3-phenylpyrazino[1,2-a]benzimidazol-2-yl)phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.22122 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22850 216.5
[M+Na]+ 487.21044 222.6
[M-H]- 463.21394 224.9
[M+NH4]+ 482.25504 220.0
[M+K]+ 503.18438 214.3
[M+H-H2O]+ 447.21848 201.2
[M+HCOO]- 509.21942 227.3
[M+CH3COO]- 523.23507 222.3
[M+Na-2H]- 485.19589 216.2
[M]+ 464.22067 214.7
[M]- 464.22177 214.7
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.