CID 504467

2-ethoxy-6-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethoxy]-1,3-benzoxazole

Structural Information

Molecular Formula
C20H25N5O3
SMILES
CCOC1=NC2=C(O1)C=C(C=C2)OCCN3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C20H25N5O3/c1-3-26-20-21-17-6-5-16(14-18(17)28-20)27-13-12-24-8-10-25(11-9-24)19-7-4-15(2)22-23-19/h4-7,14H,3,8-13H2,1-2H3
InChIKey
QEFPFDVOBJJUEE-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

383.19574 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20302 193.8
[M+Na]+ 406.18496 201.5
[M-H]- 382.18846 198.1
[M+NH4]+ 401.22956 199.5
[M+K]+ 422.15890 196.8
[M+H-H2O]+ 366.19300 180.7
[M+HCOO]- 428.19394 207.5
[M+CH3COO]- 442.20959 201.9
[M+Na-2H]- 404.17041 195.8
[M]+ 383.19519 197.3
[M]- 383.19629 197.3
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