CID 5471218

Nsc709480

Structural Information

Molecular Formula
C23H17N3OS
SMILES
COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)/C=C/C5=CC=CS5
InChI
InChI=1S/C23H17N3OS/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+
InChIKey
UMZLUAOYYKUESL-OUKQBFOZSA-N
Compound name
3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.10922 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11650 192.2
[M+Na]+ 406.09844 205.7
[M-H]- 382.10194 202.1
[M+NH4]+ 401.14304 206.6
[M+K]+ 422.07238 197.3
[M+H-H2O]+ 366.10648 183.4
[M+HCOO]- 428.10742 210.7
[M+CH3COO]- 442.12307 203.8
[M+Na-2H]- 404.08389 193.6
[M]+ 383.10867 200.0
[M]- 383.10977 200.0
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.