CID 3024943

M-phenetidine, 5-chloro-4-(3-(diethylamino)propoxy)-, hydrochloride

Structural Information

Molecular Formula
C15H25ClN2O2
SMILES
CCN(CC)CCCOC1=C(C=C(C=C1Cl)N)OCC
InChI
InChI=1S/C15H25ClN2O2/c1-4-18(5-2)8-7-9-20-15-13(16)10-12(17)11-14(15)19-6-3/h10-11H,4-9,17H2,1-3H3
InChIKey
BURDZRGXJNKJDJ-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(diethylamino)propoxy]-5-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.16046 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16774 172.7
[M+Na]+ 323.14968 179.5
[M-H]- 299.15318 176.9
[M+NH4]+ 318.19428 189.3
[M+K]+ 339.12362 176.1
[M+H-H2O]+ 283.15772 166.1
[M+HCOO]- 345.15866 193.1
[M+CH3COO]- 359.17431 213.3
[M+Na-2H]- 321.13513 173.8
[M]+ 300.15991 179.6
[M]- 300.16101 179.6
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

No patent data available for this compound.