CID 22679

N,n'-bis(1-phenylethyl)diaminoethane

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C1=CC=CC=C1)NCCNC(C)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKey
LVJYSFUNASCGCN-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

268.19394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 166.2
[M+Na]+ 291.183158 168.7
[M-H]- 267.186664 171.7
[M+NH4]+ 286.227763 181.3
[M+K]+ 307.157098 164.7
[M+H-H2O]+ 251.191200 157.6
[M+HCOO]- 313.192141 189.2
[M+CH3COO]- 327.207791 205.6
[M+Na-2H]- 289.168606 170.4
[M]+ 268.19339142 164.0
[M]- 268.19448858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe