CID 57376619

2830-40-2

Structural Information

Molecular Formula
C20H20N2
SMILES
CC(C1=CC=CC=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C20H20N2/c1-16(17-8-4-2-5-9-17)21-19-12-14-20(15-13-19)22-18-10-6-3-7-11-18/h2-16,21-22H,1H3
InChIKey
RRUHMDSGRHUALW-UHFFFAOYSA-N
Compound name
1-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

288.16266 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 167.8
[M+Na]+ 311.151878 172.0
[M-H]- 287.155384 176.7
[M+NH4]+ 306.196483 181.8
[M+K]+ 327.125818 166.3
[M+H-H2O]+ 271.159920 158.3
[M+HCOO]- 333.160861 192.4
[M+CH3COO]- 347.176511 178.4
[M+Na-2H]- 309.137326 174.2
[M]+ 288.16211142 164.6
[M]- 288.16320858 164.6
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