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]+ 289.146576 169.2
[M+Na]+ 311.128518 174.4
[M-H]- 287.132024 176.4
[M+NH4]+ 306.173123 185.4
[M+K]+ 327.102458 169.6
[M+H-H2O]+ 271.136560 161.4
[M+HCOO]- 333.137501 189.6
[M+CH3COO]- 347.153151 209.9
[M+Na-2H]- 309.113966 173.1
[M]+ 288.13875142 171.3
[M]- 288.13984858 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.