CID 3035222

1,4-benzenediamine, diphenyl-

Structural Information

Molecular Formula
C18H16N2
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=CC=C3)N)N
InChI
InChI=1S/C18H16N2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19-20H2
InChIKey
ROPCXUHUYPCFCP-UHFFFAOYSA-N
Compound name
2,3-diphenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8165
Patents

260.13135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.138626 160.5
[M+Na]+ 283.120568 168.0
[M-H]- 259.124074 169.7
[M+NH4]+ 278.165173 176.0
[M+K]+ 299.094508 161.6
[M+H-H2O]+ 243.128610 151.8
[M+HCOO]- 305.129551 185.7
[M+CH3COO]- 319.145201 172.5
[M+Na-2H]- 281.106016 165.6
[M]+ 260.13080142 156.3
[M]- 260.13189858 156.3
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