CID 3063886

Brn 3355014

Structural Information

Molecular Formula
C18H23NO
SMILES
CN(C)CCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-19(2)14-6-7-16-10-12-17(13-11-16)15-20-18-8-4-3-5-9-18/h3-5,8-13H,6-7,14-15H2,1-2H3
InChIKey
ZROMDBIGGKCKBJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[4-(phenoxymethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.7
[M+Na]+ 292.16720 170.7
[M-H]- 268.17070 173.0
[M+NH4]+ 287.21180 182.2
[M+K]+ 308.14114 167.7
[M+H-H2O]+ 252.17524 157.0
[M+HCOO]- 314.17618 190.4
[M+CH3COO]- 328.19183 205.5
[M+Na-2H]- 290.15265 170.4
[M]+ 269.17743 168.4
[M]- 269.17853 168.4
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.