CID 11971159

Brn 0616706

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCN(CC)CCC1=NC(=NO1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19N3O2/c1-3-17(4-2)9-8-13-15-14(16-19-13)11-6-5-7-12(18)10-11/h5-7,10,18H,3-4,8-9H2,1-2H3
InChIKey
JYZREZKFCPJPCO-UHFFFAOYSA-N
Compound name
3-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 161.3
[M+Na]+ 284.13696 168.5
[M-H]- 260.14046 166.2
[M+NH4]+ 279.18156 175.6
[M+K]+ 300.11090 166.9
[M+H-H2O]+ 244.14500 152.3
[M+HCOO]- 306.14594 183.4
[M+CH3COO]- 320.16159 199.3
[M+Na-2H]- 282.12241 165.3
[M]+ 261.14719 165.1
[M]- 261.14829 165.1
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

No patent data available for this compound.