CID 39495

Wd 67/2

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC(CC1=CC=CC=C1)NCCN2CON=C2C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-16(14-17-8-4-2-5-9-17)20-12-13-22-15-23-21-19(22)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKey
IOEHAXLKKSRCBU-UHFFFAOYSA-N
Compound name
1-phenyl-N-[2-(3-phenyl-5H-1,2,4-oxadiazol-4-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 174.6
[M+Na]+ 332.17332 179.0
[M-H]- 308.17682 181.5
[M+NH4]+ 327.21792 185.9
[M+K]+ 348.14726 175.2
[M+H-H2O]+ 292.18136 164.0
[M+HCOO]- 354.18230 194.6
[M+CH3COO]- 368.19795 184.4
[M+Na-2H]- 330.15877 177.9
[M]+ 309.18355 174.2
[M]- 309.18465 174.2
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.