CID 5271002

2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-amine

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC(C)(C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C18H19N3O2/c1-18(2,19)14-8-4-12(5-9-14)16-20-21-17(23-16)13-6-10-15(22-3)11-7-13/h4-11H,19H2,1-3H3
InChIKey
CNBUVNFKCLRWNU-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 173.9
[M+Na]+ 332.13696 182.3
[M-H]- 308.14046 182.1
[M+NH4]+ 327.18156 185.9
[M+K]+ 348.11090 178.8
[M+H-H2O]+ 292.14500 164.5
[M+HCOO]- 354.14594 194.7
[M+CH3COO]- 368.16159 207.5
[M+Na-2H]- 330.12241 178.3
[M]+ 309.14719 176.0
[M]- 309.14829 176.0
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.