CID 3054453

2-propanol, 1-phenoxy-3-((2-(2,5-xylidino)ethyl)amino)-, dihydrochloride

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC1=CC(=C(C=C1)C)NCCNCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C19H26N2O2/c1-15-8-9-16(2)19(12-15)21-11-10-20-13-17(22)14-23-18-6-4-3-5-7-18/h3-9,12,17,20-22H,10-11,13-14H2,1-2H3
InChIKey
CKFPHXPKRDJKHU-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dimethylanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.7
[M+Na]+ 337.18865 180.2
[M-H]- 313.19215 181.2
[M+NH4]+ 332.23325 189.7
[M+K]+ 353.16259 176.0
[M+H-H2O]+ 297.19669 167.8
[M+HCOO]- 359.19763 199.3
[M+CH3COO]- 373.21328 211.7
[M+Na-2H]- 335.17410 179.7
[M]+ 314.19888 177.2
[M]- 314.19998 177.2
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