CID 61412286

4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
COCCC1=NOC(=N1)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C11H12ClN3O2/c1-16-5-4-10-14-11(17-15-10)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5,13H2,1H3
InChIKey
HPCLCNRYVMODLC-UHFFFAOYSA-N
Compound name
4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0618 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 154.9
[M+Na]+ 276.05102 165.2
[M-H]- 252.05452 159.7
[M+NH4]+ 271.09562 170.4
[M+K]+ 292.02496 161.7
[M+H-H2O]+ 236.05906 146.9
[M+HCOO]- 298.06000 173.5
[M+CH3COO]- 312.07565 193.8
[M+Na-2H]- 274.03647 159.2
[M]+ 253.06125 159.5
[M]- 253.06235 159.5
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.