CID 21972222

2,4,6-tris[2-(dimethylamino)ethyl]phenol

Structural Information

Molecular Formula
C18H33N3O
SMILES
CN(C)CCC1=CC(=C(C(=C1)CCN(C)C)O)CCN(C)C
InChI
InChI=1S/C18H33N3O/c1-19(2)10-7-15-13-16(8-11-20(3)4)18(22)17(14-15)9-12-21(5)6/h13-14,22H,7-12H2,1-6H3
InChIKey
XDWHWRIAVCRANP-UHFFFAOYSA-N
Compound name
2,4,6-tris[2-(dimethylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

307.26236 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.26964 180.3
[M+Na]+ 330.25158 189.2
[M+NH4]+ 325.29618 187.1
[M+K]+ 346.22552 183.1
[M-H]- 306.25508 184.1
[M+Na-2H]- 328.23703 184.6
[M]+ 307.26181 182.4
[M]- 307.26291 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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