CID 15954664

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

Structural Information

Molecular Formula
C20H22N4O4
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C)C)OCCCC3=NN=C(C=C3)OC(=O)C
InChI
InChI=1S/C20H22N4O4/c1-12-10-17(11-13(2)19(12)20-21-14(3)28-24-20)26-9-5-6-16-7-8-18(23-22-16)27-15(4)25/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
DQTRDDBCTVTKBP-UHFFFAOYSA-N
Compound name
[6-[3-[3,5-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]pyridazin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1641 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 192.8
[M+Na]+ 405.15332 202.1
[M-H]- 381.15682 198.9
[M+NH4]+ 400.19792 199.6
[M+K]+ 421.12726 198.6
[M+H-H2O]+ 365.16136 181.2
[M+HCOO]- 427.16230 210.6
[M+CH3COO]- 441.17795 220.2
[M+Na-2H]- 403.13877 192.8
[M]+ 382.16355 200.6
[M]- 382.16465 200.6
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.