CID 504464

Schembl1664257

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CCOC1=CN=C2C=C(C=CC2=N1)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C22H27N5O2/c1-3-28-22-15-23-20-14-18(5-6-19(20)24-22)29-13-10-17-8-11-27(12-9-17)21-7-4-16(2)25-26-21/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKey
WLTJFUCVMCDVJU-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

393.21646 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 201.1
[M+Na]+ 416.20568 206.8
[M-H]- 392.20918 203.4
[M+NH4]+ 411.25028 205.4
[M+K]+ 432.17962 199.8
[M+H-H2O]+ 376.21372 186.4
[M+HCOO]- 438.21466 212.3
[M+CH3COO]- 452.23031 207.2
[M+Na-2H]- 414.19113 204.0
[M]+ 393.21591 200.7
[M]- 393.21701 200.7
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.