CID 213341

Phenetole, beta-dimethylamino-alpha-methyl-o-phenoxy-, maleate

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC(CN(C)C)OC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-14(13-18(2)3)19-16-11-7-8-12-17(16)20-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKey
UXBOYXCBSJXUTD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-phenoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.7
[M+Na]+ 294.14645 169.7
[M-H]- 270.14995 172.3
[M+NH4]+ 289.19105 180.9
[M+K]+ 310.12039 168.1
[M+H-H2O]+ 254.15449 156.1
[M+HCOO]- 316.15543 189.0
[M+CH3COO]- 330.17108 205.3
[M+Na-2H]- 292.13190 168.7
[M]+ 271.15668 167.9
[M]- 271.15778 167.9
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.