CID 6482692

Schembl4996771

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CS4)OC
InChI
InChI=1S/C20H22N4O2S/c1-25-17-6-5-15(12-18(17)26-2)23-7-9-24(10-8-23)20-14-21-13-16(22-20)19-4-3-11-27-19/h3-6,11-14H,7-10H2,1-2H3
InChIKey
UTPRCMYYCFOAEA-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-thiophen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

382.14636 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe