CID 3054459

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

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CC1=C(C=CC=C1Cl)NCCNCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C18H23ClN2O2/c1-14-17(19)8-5-9-18(14)21-11-10-20-12-15(22)13-23-16-6-3-2-4-7-16/h2-9,15,20-22H,10-13H2,1H3
InChIKey
OOMXWPKMZCFXKS-UHFFFAOYSA-N
Compound name
1-[2-(3-chloro-2-methylanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.1448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.152076 178.7
[M+Na]+ 357.134018 183.6
[M-H]- 333.137524 183.3
[M+NH4]+ 352.178623 191.9
[M+K]+ 373.107958 177.7
[M+H-H2O]+ 317.142060 171.0
[M+HCOO]- 379.143001 197.2
[M+CH3COO]- 393.158651 212.3
[M+Na-2H]- 355.119466 181.9
[M]+ 334.14425142 181.3
[M]- 334.14534858 181.3
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

patents stripe