CID 24304

7658-89-1

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCN(CC)C1=NN=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
MRXYSWDEIZTLGG-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

217.1215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.5
[M+Na]+ 240.110718 156.2
[M-H]- 216.114224 154.6
[M+NH4]+ 235.155323 165.0
[M+K]+ 256.084658 155.4
[M+H-H2O]+ 200.118760 139.5
[M+HCOO]- 262.119701 172.5
[M+CH3COO]- 276.135351 192.7
[M+Na-2H]- 238.096166 154.7
[M]+ 217.12095142 151.6
[M]- 217.12204858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe