CID 3024566

P-phenetidine, 3-chloro-beta-(diethylamino)-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H21ClN2O2
SMILES
CCN(CC)CCOC1=C(C=C(C=C1Cl)N)OC
InChI
InChI=1S/C13H21ClN2O2/c1-4-16(5-2)6-7-18-13-11(14)8-10(15)9-12(13)17-3/h8-9H,4-7,15H2,1-3H3
InChIKey
YRBNNGKRSMTSLV-UHFFFAOYSA-N
Compound name
3-chloro-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.12915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13643 163.5
[M+Na]+ 295.11837 171.1
[M-H]- 271.12187 168.0
[M+NH4]+ 290.16297 181.2
[M+K]+ 311.09231 168.2
[M+H-H2O]+ 255.12641 157.3
[M+HCOO]- 317.12735 184.5
[M+CH3COO]- 331.14300 207.3
[M+Na-2H]- 293.10382 165.6
[M]+ 272.12860 169.7
[M]- 272.12970 169.7
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