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

1
Patents

258.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12078 158.8
[M+Na]+ 281.10272 166.8
[M-H]- 257.10622 163.5
[M+NH4]+ 276.14732 177.1
[M+K]+ 297.07666 164.3
[M+H-H2O]+ 241.11076 152.8
[M+HCOO]- 303.11170 180.2
[M+CH3COO]- 317.12735 204.3
[M+Na-2H]- 279.08817 161.5
[M]+ 258.11295 164.6
[M]- 258.11405 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.