CID 15954677

[6-[3-[3,5-dimethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]pyridazin-3-yl]methanol

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CCCC1=NC(=NO1)C2=C(C=C(C=C2C)OCCCC3=NN=C(C=C3)CO)C
InChI
InChI=1S/C21H26N4O3/c1-4-6-19-22-21(25-28-19)20-14(2)11-18(12-15(20)3)27-10-5-7-16-8-9-17(13-26)24-23-16/h8-9,11-12,26H,4-7,10,13H2,1-3H3
InChIKey
RBBNPKCOVPYVFX-UHFFFAOYSA-N
Compound name
[6-[3-[3,5-dimethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 195.8
[M+Na]+ 405.189718 204.3
[M-H]- 381.193224 200.1
[M+NH4]+ 400.234323 202.1
[M+K]+ 421.163658 199.2
[M+H-H2O]+ 365.197760 184.1
[M+HCOO]- 427.198701 212.4
[M+CH3COO]- 441.214351 219.0
[M+Na-2H]- 403.175166 195.7
[M]+ 382.19995142 202.1
[M]- 382.20104858 202.1
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.