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
7
Annotation Hits

200
References

29466
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

literature stripe

Patent stripe

patents stripe