CID 6319

74-31-7

Structural Information

Molecular Formula
C18H16N2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
InChIKey
UTGQNNCQYDRXCH-UHFFFAOYSA-N
Compound name
1-N,4-N-diphenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

200
References

29268
Patents

260.13135 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 158.0
[M+Na]+ 283.12057 163.5
[M-H]- 259.12407 167.3
[M+NH4]+ 278.16517 173.3
[M+K]+ 299.09451 157.7
[M+H-H2O]+ 243.12861 148.8
[M+HCOO]- 305.12955 184.4
[M+CH3COO]- 319.14520 169.7
[M+Na-2H]- 281.10602 166.8
[M]+ 260.13080 154.8
[M]- 260.13190 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.