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]+ 287.175396 170.0
[M+Na]+ 309.157338 176.7
[M-H]- 285.160844 177.2
[M+NH4]+ 304.201943 185.3
[M+K]+ 325.131278 174.8
[M+H-H2O]+ 269.165380 161.3
[M+HCOO]- 331.166321 194.1
[M+CH3COO]- 345.181971 206.6
[M+Na-2H]- 307.142786 172.8
[M]+ 286.16757142 175.4
[M]- 286.16866858 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.