CID 15341408

Schembl8824473

Structural Information

Molecular Formula
C18H18F2N4O2
SMILES
CC1=CC(=CC(=C1OCCCC2=NN=CC=C2)C)C3=NOC(=N3)C(F)F
InChI
InChI=1S/C18H18F2N4O2/c1-11-9-13(17-22-18(16(19)20)26-24-17)10-12(2)15(11)25-8-4-6-14-5-3-7-21-23-14/h3,5,7,9-10,16H,4,6,8H2,1-2H3
InChIKey
TVXSFHPPNCQEPI-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[3,5-dimethyl-4-(3-pyridazin-3-ylpropoxy)phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.13977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14705 184.2
[M+Na]+ 383.12899 193.7
[M-H]- 359.13249 187.3
[M+NH4]+ 378.17359 191.7
[M+K]+ 399.10293 188.8
[M+H-H2O]+ 343.13703 170.9
[M+HCOO]- 405.13797 200.0
[M+CH3COO]- 419.15362 215.4
[M+Na-2H]- 381.11444 184.6
[M]+ 360.13922 187.0
[M]- 360.14032 187.0
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

patents stripe