CID 59411

102504-38-1

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCN(CC)CC1=NNC(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c1-3-16(4-2)10-12-14-15-13(17-12)11-8-6-5-7-9-11/h5-9,13,15H,3-4,10H2,1-2H3
InChIKey
QXJQYXYZOLXIJS-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(2-phenyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 155.0
[M+Na]+ 256.142038 160.7
[M-H]- 232.145544 159.2
[M+NH4]+ 251.186643 170.1
[M+K]+ 272.115978 159.0
[M+H-H2O]+ 216.150080 146.0
[M+HCOO]- 278.151021 175.7
[M+CH3COO]- 292.166671 193.4
[M+Na-2H]- 254.127486 159.1
[M]+ 233.15227142 155.1
[M]- 233.15336858 155.1
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.