CID 3061074

Brn 4473132

Structural Information

Molecular Formula
C12H14ClN3O2
SMILES
CC1=C(C=CC(=C1)OC(C)(C)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C12H14ClN3O2/c1-7-6-8(4-5-9(7)13)18-12(2,3)10-15-16-11(14)17-10/h4-6H,1-3H3,(H2,14,16)
InChIKey
GUFDXUIOUBFWDT-UHFFFAOYSA-N
Compound name
5-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08473 160.4
[M+Na]+ 290.06667 170.7
[M-H]- 266.07017 165.5
[M+NH4]+ 285.11127 175.5
[M+K]+ 306.04061 167.5
[M+H-H2O]+ 250.07471 153.0
[M+HCOO]- 312.07565 177.1
[M+CH3COO]- 326.09130 197.2
[M+Na-2H]- 288.05212 165.1
[M]+ 267.07690 164.9
[M]- 267.07800 164.9
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.