CID 218044

Brn 1040515

Structural Information

Molecular Formula
C16H13Cl2N3O3
SMILES
COC1=CC=C(C=C1)NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O3/c1-22-12-5-3-11(4-6-12)19-16-21-20-15(24-16)9-23-14-8-10(17)2-7-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKey
YNZIEUVJYBEDAK-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0334 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.04068 180.7
[M+Na]+ 388.02262 191.0
[M-H]- 364.02612 188.3
[M+NH4]+ 383.06722 191.9
[M+K]+ 403.99656 186.0
[M+H-H2O]+ 348.03066 171.2
[M+HCOO]- 410.03160 194.4
[M+CH3COO]- 424.04725 191.7
[M+Na-2H]- 386.00807 184.0
[M]+ 365.03285 188.5
[M]- 365.03395 188.5
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.