CID 224501

4-chloro-n-[2-(diethylamino)ethyl]aniline

Structural Information

Molecular Formula
C12H19ClN2
SMILES
CCN(CC)CCNC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H19ClN2/c1-3-15(4-2)10-9-14-12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey
NCAAIVMJHDTUNT-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

226.12367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13095 152.0
[M+Na]+ 249.11289 164.2
[M+NH4]+ 244.15749 161.2
[M+K]+ 265.08683 156.0
[M-H]- 225.11639 156.2
[M+Na-2H]- 247.09834 159.4
[M]+ 226.12312 155.2
[M]- 226.12422 155.2
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