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]+ 383.20778 195.8
[M+Na]+ 405.18972 204.3
[M-H]- 381.19322 200.1
[M+NH4]+ 400.23432 202.1
[M+K]+ 421.16366 199.2
[M+H-H2O]+ 365.19776 184.1
[M+HCOO]- 427.19870 212.4
[M+CH3COO]- 441.21435 219.0
[M+Na-2H]- 403.17517 195.7
[M]+ 382.19995 202.1
[M]- 382.20105 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.