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

344
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 181.3
[M+Na]+ 330.25158 185.0
[M-H]- 306.25508 187.1
[M+NH4]+ 325.29618 197.2
[M+K]+ 346.22552 184.9
[M+H-H2O]+ 290.25962 172.9
[M+HCOO]- 352.26056 206.0
[M+CH3COO]- 366.27621 226.6
[M+Na-2H]- 328.23703 180.5
[M]+ 307.26181 186.6
[M]- 307.26291 186.6
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

patents stripe