CID 6482683

Schembl5003002

Structural Information

Molecular Formula
C20H19N5O3
SMILES
C1CN(CCN1C2=NC(=CN=C2)C3=CC=C(C=C3)C(=O)N)C(=O)C4=CC=CO4
InChI
InChI=1S/C20H19N5O3/c21-19(26)15-5-3-14(4-6-15)16-12-22-13-18(23-16)24-7-9-25(10-8-24)20(27)17-2-1-11-28-17/h1-6,11-13H,7-10H2,(H2,21,26)
InChIKey
RKFQIQKMMWDMMM-UHFFFAOYSA-N
Compound name
4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.1488 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 188.8
[M+Na]+ 400.13802 193.7
[M-H]- 376.14152 196.3
[M+NH4]+ 395.18262 193.6
[M+K]+ 416.11196 189.3
[M+H-H2O]+ 360.14606 176.2
[M+HCOO]- 422.14700 203.1
[M+CH3COO]- 436.16265 196.5
[M+Na-2H]- 398.12347 188.3
[M]+ 377.14825 184.8
[M]- 377.14935 184.8
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

No patent data available for this compound.