CID 214867

34535-95-0

Structural Information

Molecular Formula

C₁₁H₁₇ClN₂O₂

SMILES

CN(C)CCOC1=C(C=C(C=C1Cl)N)OC

InChI

InChI=1S/C11H17ClN2O2/c1-14(2)4-5-16-11-9(12)6-8(13)7-10(11)15-3/h6-7H,4-5,13H2,1-3H3

InChIKey

PWEFSCQTYNNMTP-UHFFFAOYSA-N

Compound name

3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.09785 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.10513	154.2
[M+Na]+	267.08707	162.6
[M-H]-	243.09057	159.0
[M+NH4]+	262.13167	173.0
[M+K]+	283.06101	160.3
[M+H-H2O]+	227.09511	148.4
[M+HCOO]-	289.09605	175.9
[M+CH3COO]-	303.11170	201.3
[M+Na-2H]-	265.07252	157.3
[M]+	244.09730	159.6
[M]-	244.09840	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe