CID 503025

1-methylene-3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole

Structural Information

Molecular Formula
C30H30N4O
SMILES
C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCCCC5)C6=CC=CC=C6
InChI
InChI=1S/C30H30N4O/c1-23-30-31-27-12-6-7-13-28(27)33(30)22-29(24-10-4-2-5-11-24)34(23)25-14-16-26(17-15-25)35-21-20-32-18-8-3-9-19-32/h2,4-7,10-17,22H,1,3,8-9,18-21H2
InChIKey
NGJBOLNTGHMBBG-UHFFFAOYSA-N
Compound name
1-methylidene-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.24197 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.24925 217.8
[M+Na]+ 485.23119 223.3
[M-H]- 461.23469 225.3
[M+NH4]+ 480.27579 222.7
[M+K]+ 501.20513 213.0
[M+H-H2O]+ 445.23923 202.2
[M+HCOO]- 507.24017 229.0
[M+CH3COO]- 521.25582 223.3
[M+Na-2H]- 483.21664 216.9
[M]+ 462.24142 214.4
[M]- 462.24252 214.4
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.