CID 57127

5-chloro-4-(3-(dimethylamino)propoxy)-m-anisidine hydrochloride

Structural Information

Molecular Formula
C12H19ClN2O2
SMILES
CN(C)CCCOC1=C(C=C(C=C1Cl)N)OC
InChI
InChI=1S/C12H19ClN2O2/c1-15(2)5-4-6-17-12-10(13)7-9(14)8-11(12)16-3/h7-8H,4-6,14H2,1-3H3
InChIKey
YRCIIGPZHGSSLS-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.120776 158.8
[M+Na]+ 281.102718 166.8
[M-H]- 257.106224 163.5
[M+NH4]+ 276.147323 177.1
[M+K]+ 297.076658 164.3
[M+H-H2O]+ 241.110760 152.8
[M+HCOO]- 303.111701 180.2
[M+CH3COO]- 317.127351 204.3
[M+Na-2H]- 279.088166 161.5
[M]+ 258.11295142 164.6
[M]- 258.11404858 164.6
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.