CID 39495

49561-54-8

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]+ 310.191376 174.6
[M+Na]+ 332.173318 179.0
[M-H]- 308.176824 181.5
[M+NH4]+ 327.217923 185.9
[M+K]+ 348.147258 175.2
[M+H-H2O]+ 292.181360 164.0
[M+HCOO]- 354.182301 194.6
[M+CH3COO]- 368.197951 184.4
[M+Na-2H]- 330.158766 177.9
[M]+ 309.18355142 174.2
[M]- 309.18464858 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.