CID 6483160

Schembl4996829

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=COC=C4)C
InChI
InChI=1S/C20H22N4O/c1-15-4-3-5-19(16(15)2)23-7-9-24(10-8-23)20-13-21-12-18(22-20)17-6-11-25-14-17/h3-6,11-14H,7-10H2,1-2H3
InChIKey
QKTZZVKSKGRAKA-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.17935 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 183.0
[M+Na]+ 357.16857 190.2
[M-H]- 333.17207 190.7
[M+NH4]+ 352.21317 190.9
[M+K]+ 373.14251 184.6
[M+H-H2O]+ 317.17661 170.3
[M+HCOO]- 379.17755 197.9
[M+CH3COO]- 393.19320 192.1
[M+Na-2H]- 355.15402 183.4
[M]+ 334.17880 180.6
[M]- 334.17990 180.6
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