CID 15954680

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

Structural Information

Molecular Formula
C19H19F3N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)(F)F)C)OCCCC3=NN=C(C=C3)CO
InChI
InChI=1S/C19H19F3N4O3/c1-11-8-15(28-7-3-4-13-5-6-14(10-27)25-24-13)9-12(2)16(11)17-23-18(29-26-17)19(20,21)22/h5-6,8-9,27H,3-4,7,10H2,1-2H3
InChIKey
JPZMPESKFXBCQZ-UHFFFAOYSA-N
Compound name
[6-[3-[3,5-dimethyl-4-[5-(trifluoromethyl)-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

408.14093 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14821 196.6
[M+Na]+ 431.13015 206.6
[M-H]- 407.13365 197.6
[M+NH4]+ 426.17475 201.8
[M+K]+ 447.10409 201.0
[M+H-H2O]+ 391.13819 183.2
[M+HCOO]- 453.13913 209.0
[M+CH3COO]- 467.15478 221.0
[M+Na-2H]- 429.11560 196.8
[M]+ 408.14038 198.6
[M]- 408.14148 198.6
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.