CID 15954639

5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C19H20F2N4O2
SMILES
CC1=NN=C(C=C1)CCCOC2=C(C=C(C=C2C)C3=NOC(=N3)C(F)F)C
InChI
InChI=1S/C19H20F2N4O2/c1-11-9-14(18-22-19(17(20)21)27-25-18)10-12(2)16(11)26-8-4-5-15-7-6-13(3)23-24-15/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKey
YSCWZTRHQHGVFO-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15543 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16271 189.5
[M+Na]+ 397.14465 199.4
[M-H]- 373.14815 192.8
[M+NH4]+ 392.18925 196.7
[M+K]+ 413.11859 194.3
[M+H-H2O]+ 357.15269 176.3
[M+HCOO]- 419.15363 204.9
[M+CH3COO]- 433.16928 219.5
[M+Na-2H]- 395.13010 188.5
[M]+ 374.15488 193.0
[M]- 374.15598 193.0
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.