CID 161288

19606-98-5

Structural Information

Molecular Formula
C24H20N2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H
InChIKey
OCQFHFNWMCLWKC-UHFFFAOYSA-N
Compound name
1-N,4-N,4-N-triphenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1207
Patents

336.16266 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16994 180.1
[M+Na]+ 359.15188 184.1
[M-H]- 335.15538 192.8
[M+NH4]+ 354.19648 191.9
[M+K]+ 375.12582 177.9
[M+H-H2O]+ 319.15992 168.7
[M+HCOO]- 381.16086 205.7
[M+CH3COO]- 395.17651 190.3
[M+Na-2H]- 357.13733 187.1
[M]+ 336.16211 177.2
[M]- 336.16321 177.2
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