CID 3054451

1-phenoxy-3-((2-(o-toluidino)ethyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1=CC=CC=C1NCCNCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C18H24N2O2/c1-15-7-5-6-10-18(15)20-12-11-19-13-16(21)14-22-17-8-3-2-4-9-17/h2-10,16,19-21H,11-14H2,1H3
InChIKey
GUZHJEZEKCQRRL-UHFFFAOYSA-N
Compound name
1-[2-(2-methylanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 171.6
[M+Na]+ 323.172998 174.7
[M-H]- 299.176504 176.0
[M+NH4]+ 318.217603 184.9
[M+K]+ 339.146938 170.6
[M+H-H2O]+ 283.181040 162.8
[M+HCOO]- 345.181981 194.6
[M+CH3COO]- 359.197631 207.5
[M+Na-2H]- 321.158446 176.0
[M]+ 300.18323142 171.4
[M]- 300.18432858 171.4
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

patents stripe