CID 3088316

Brn 5169119

Structural Information

Molecular Formula
C24H36Cl3N3O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OCC2=NN=C(O2)N)Cl
InChI
InChI=1S/C24H36Cl3N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(25)16-20(26)23(22(18)27)31-17-21-29-30-24(28)32-21/h16H,2-15,17H2,1H3,(H2,28,30)
InChIKey
RHFPXOYAGCZAGN-UHFFFAOYSA-N
Compound name
5-[(2,4,6-trichloro-3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.18732 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.19460 225.5
[M+Na]+ 526.17654 231.7
[M-H]- 502.18004 226.4
[M+NH4]+ 521.22114 231.8
[M+K]+ 542.15048 223.6
[M+H-H2O]+ 486.18458 215.8
[M+HCOO]- 548.18552 228.7
[M+CH3COO]- 562.20117 241.7
[M+Na-2H]- 524.16199 219.5
[M]+ 503.18677 235.9
[M]- 503.18787 235.9
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.