CID 3039233

1,2-ethanediamine, n'-(4-chloro-2-(phenylmethyl)phenyl)-n,n-diethyl-, monohydrochloride

Structural Information

Molecular Formula
C19H25ClN2
SMILES
CCN(CC)CCNC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2
InChI
InChI=1S/C19H25ClN2/c1-3-22(4-2)13-12-21-19-11-10-18(20)15-17(19)14-16-8-6-5-7-9-16/h5-11,15,21H,3-4,12-14H2,1-2H3
InChIKey
QACXBIYHLNXRIX-UHFFFAOYSA-N
Compound name
N-(2-benzyl-4-chlorophenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17790 178.4
[M+Na]+ 339.15984 183.9
[M-H]- 315.16334 185.4
[M+NH4]+ 334.20444 193.8
[M+K]+ 355.13378 178.1
[M+H-H2O]+ 299.16788 170.1
[M+HCOO]- 361.16882 198.9
[M+CH3COO]- 375.18447 216.1
[M+Na-2H]- 337.14529 181.5
[M]+ 316.17007 182.0
[M]- 316.17117 182.0
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.