CID 6482706

Schembl4995163

Structural Information

Molecular Formula
C20H20N4O3
SMILES
C1CN(CCN1C2=NC(=CN=C2)C3=CC=CC(=C3)CO)C(=O)C4=CC=CO4
InChI
InChI=1S/C20H20N4O3/c25-14-15-3-1-4-16(11-15)17-12-21-13-19(22-17)23-6-8-24(9-7-23)20(26)18-5-2-10-27-18/h1-5,10-13,25H,6-9,14H2
InChIKey
BGZRTWNSGUELJJ-UHFFFAOYSA-N
Compound name
furan-2-yl-[4-[6-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.15353 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 186.4
[M+Na]+ 387.14275 191.8
[M-H]- 363.14625 192.8
[M+NH4]+ 382.18735 191.8
[M+K]+ 403.11669 186.9
[M+H-H2O]+ 347.15079 174.0
[M+HCOO]- 409.15173 199.5
[M+CH3COO]- 423.16738 194.3
[M+Na-2H]- 385.12820 186.6
[M]+ 364.15298 183.4
[M]- 364.15408 183.4
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