CID 6448500

139214-97-4

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCCN(C)C
InChI
InChI=1S/C17H22N2O2/c1-14-13-16(21-18-14)10-9-15-7-4-5-8-17(15)20-12-6-11-19(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3/b10-9+
InChIKey
GUBPXKKOGICWTL-MDZDMXLPSA-N
Compound name
N,N-dimethyl-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 170.0
[M+Na]+ 309.15734 176.7
[M-H]- 285.16084 177.2
[M+NH4]+ 304.20194 185.3
[M+K]+ 325.13128 174.8
[M+H-H2O]+ 269.16538 161.3
[M+HCOO]- 331.16632 194.1
[M+CH3COO]- 345.18197 206.6
[M+Na-2H]- 307.14279 172.8
[M]+ 286.16757 175.4
[M]- 286.16867 175.4
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.