CID 607368

Alpha,alpha'-dianilino-p-xylene

Structural Information

Molecular Formula
C20H20N2
SMILES
C1=CC=C(C=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=C3
InChI
InChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKey
DXWQPWMYKQYRDS-UHFFFAOYSA-N
Compound name
N-[[4-(anilinomethyl)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

288.16266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 166.9
[M+Na]+ 311.15188 171.5
[M-H]- 287.15538 175.8
[M+NH4]+ 306.19648 181.0
[M+K]+ 327.12582 165.3
[M+H-H2O]+ 271.15992 157.3
[M+HCOO]- 333.16086 192.6
[M+CH3COO]- 347.17651 177.7
[M+Na-2H]- 309.13733 174.6
[M]+ 288.16211 164.4
[M]- 288.16321 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