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

5
Patents

300.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.6
[M+Na]+ 323.17300 174.7
[M-H]- 299.17650 176.0
[M+NH4]+ 318.21760 184.9
[M+K]+ 339.14694 170.6
[M+H-H2O]+ 283.18104 162.8
[M+HCOO]- 345.18198 194.6
[M+CH3COO]- 359.19763 207.5
[M+Na-2H]- 321.15845 176.0
[M]+ 300.18323 171.4
[M]- 300.18433 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