CID 32116

N-(alpha-(p-chlorophenyl)benzyl)-n',n'-dimethylethylenediamine dioxalate

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CN(C)CCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H21ClN2/c1-20(2)13-12-19-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17,19H,12-13H2,1-2H3
InChIKey
NBPKMLCAFLRVBZ-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 169.2
[M+Na]+ 311.12852 174.4
[M-H]- 287.13202 176.4
[M+NH4]+ 306.17312 185.4
[M+K]+ 327.10246 169.6
[M+H-H2O]+ 271.13656 161.4
[M+HCOO]- 333.13750 189.6
[M+CH3COO]- 347.15315 209.9
[M+Na-2H]- 309.11397 173.1
[M]+ 288.13875 171.3
[M]- 288.13985 171.3
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.