CID 6482902

Schembl4992400

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CSC=C4)OC
InChI
InChI=1S/C20H22N4O2S/c1-25-18-4-3-16(11-19(18)26-2)23-6-8-24(9-7-23)20-13-21-12-17(22-20)15-5-10-27-14-15/h3-5,10-14H,6-9H2,1-2H3
InChIKey
DRTLSXRENVLEKA-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.14636 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15364 190.2
[M+Na]+ 405.13558 197.8
[M-H]- 381.13908 197.7
[M+NH4]+ 400.18018 198.4
[M+K]+ 421.10952 191.6
[M+H-H2O]+ 365.14362 178.7
[M+HCOO]- 427.14456 202.1
[M+CH3COO]- 441.16021 198.9
[M+Na-2H]- 403.12103 188.3
[M]+ 382.14581 191.2
[M]- 382.14691 191.2
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