CID 3066378

Brn 3414072

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CN(C)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)N(C)C)O
InChI
InChI=1S/C19H26N2O3/c1-20(2)15-5-9-18(10-6-15)23-13-17(22)14-24-19-11-7-16(8-12-19)21(3)4/h5-12,17,22H,13-14H2,1-4H3
InChIKey
MPPNHDPETHDRQF-UHFFFAOYSA-N
Compound name
1,3-bis[4-(dimethylamino)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.201616 180.9
[M+Na]+ 353.183558 184.5
[M-H]- 329.187064 188.4
[M+NH4]+ 348.228163 194.4
[M+K]+ 369.157498 183.9
[M+H-H2O]+ 313.191600 171.5
[M+HCOO]- 375.192541 204.6
[M+CH3COO]- 389.208191 220.5
[M+Na-2H]- 351.169006 182.4
[M]+ 330.19379142 185.3
[M]- 330.19488858 185.3
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.