CID 57430

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

Structural Information

Molecular Formula
C14H23ClN2O2
SMILES
CCN(CC)CCCOC1=C(C=C(C=C1Cl)N)OC
InChI
InChI=1S/C14H23ClN2O2/c1-4-17(5-2)7-6-8-19-14-12(15)9-11(16)10-13(14)18-3/h9-10H,4-8,16H2,1-3H3
InChIKey
FJVHTGBPNDEDEY-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(diethylamino)propoxy]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.1448 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15208 168.1
[M+Na]+ 309.13402 175.3
[M-H]- 285.13752 172.4
[M+NH4]+ 304.17862 185.3
[M+K]+ 325.10796 172.2
[M+H-H2O]+ 269.14206 161.7
[M+HCOO]- 331.14300 188.8
[M+CH3COO]- 345.15865 210.3
[M+Na-2H]- 307.11947 169.7
[M]+ 286.14425 174.7
[M]- 286.14535 174.7
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

No patent data available for this compound.