CID 6434762

N-(alpha-(p-chlorophenyl)benzyl)-n'-propenylethylenediamine

Structural Information

Molecular Formula
C18H21ClN2
SMILES
C/C=C/NCCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H21ClN2/c1-2-12-20-13-14-21-18(15-6-4-3-5-7-15)16-8-10-17(19)11-9-16/h2-12,18,20-21H,13-14H2,1H3/b12-2+
InChIKey
DXGQVUQMMGAWGZ-SWGQDTFXSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-[(E)-prop-1-enyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1393 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14658 172.6
[M+Na]+ 323.12852 177.6
[M-H]- 299.13202 178.1
[M+NH4]+ 318.17312 187.7
[M+K]+ 339.10246 170.5
[M+H-H2O]+ 283.13656 164.8
[M+HCOO]- 345.13750 192.3
[M+CH3COO]- 359.15315 208.0
[M+Na-2H]- 321.11397 176.7
[M]+ 300.13875 172.9
[M]- 300.13985 172.9
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.