CID 6482814

Schembl5003388

Structural Information

Molecular Formula
C24H28N4O4
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=C(C(=CC=C4)OC)OC)OC
InChI
InChI=1S/C24H28N4O4/c1-29-20-9-8-17(14-22(20)31-3)27-10-12-28(13-11-27)23-16-25-15-19(26-23)18-6-5-7-21(30-2)24(18)32-4/h5-9,14-16H,10-13H2,1-4H3
InChIKey
LXSFCBBKWFTHPI-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

436.21106 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21834 210.3
[M+Na]+ 459.20028 216.3
[M-H]- 435.20378 217.0
[M+NH4]+ 454.24488 213.2
[M+K]+ 475.17422 211.0
[M+H-H2O]+ 419.20832 195.3
[M+HCOO]- 481.20926 224.0
[M+CH3COO]- 495.22491 217.0
[M+Na-2H]- 457.18573 210.3
[M]+ 436.21051 212.3
[M]- 436.21161 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe