CID 15341407

Schembl8824435

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1=NN=C(C=C1)CCCOC2=C(C=C(C=C2C)C3=NOC(=N3)C)C
InChI
InChI=1S/C19H22N4O2/c1-12-10-16(19-20-15(4)25-23-19)11-13(2)18(12)24-9-5-6-17-8-7-14(3)21-22-17/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
BGOOKPILHHEUSQ-UHFFFAOYSA-N
Compound name
3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.1743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 184.0
[M+Na]+ 361.16352 194.3
[M-H]- 337.16702 190.0
[M+NH4]+ 356.20812 193.0
[M+K]+ 377.13746 189.7
[M+H-H2O]+ 321.17156 172.7
[M+HCOO]- 383.17250 202.6
[M+CH3COO]- 397.18815 194.6
[M+Na-2H]- 359.14897 185.3
[M]+ 338.17375 190.1
[M]- 338.17485 190.1
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

patents stripe