CID 42796

58598-98-4

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN(C)CCC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O/c1-15(2)9-8-11-13-12(14-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
SEFTUKOFDWVEAZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.1215 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe