CID 3061482

Vufb-13701

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(CN(C)C)COC1=CC=CC=C1OCC2=CC=CC=C2
InChI
InChI=1S/C19H25NO2/c1-16(13-20(2)3)14-21-18-11-7-8-12-19(18)22-15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3
InChIKey
TYDCMHGEGCXHMK-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.1
[M+Na]+ 322.17776 178.2
[M-H]- 298.18126 181.2
[M+NH4]+ 317.22236 189.1
[M+K]+ 338.15170 176.1
[M+H-H2O]+ 282.18580 165.0
[M+HCOO]- 344.18674 197.6
[M+CH3COO]- 358.20239 211.3
[M+Na-2H]- 320.16321 177.0
[M]+ 299.18799 178.0
[M]- 299.18909 178.0
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

patents stripe