CID 82590

10368-25-9

Structural Information

Molecular Formula
C20H20N2
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C20H20N2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14,21-22H,15-16H2
InChIKey
TWWSZCBSGNBEKE-UHFFFAOYSA-N
Compound name
1-N,4-N-dibenzylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

288.16266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 166.9
[M+Na]+ 311.151878 171.5
[M-H]- 287.155384 175.8
[M+NH4]+ 306.196483 181.0
[M+K]+ 327.125818 165.3
[M+H-H2O]+ 271.159920 157.3
[M+HCOO]- 333.160861 192.6
[M+CH3COO]- 347.176511 177.7
[M+Na-2H]- 309.137326 174.6
[M]+ 288.16211142 164.4
[M]- 288.16320858 164.4
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