CID 3042624

Terphenyldiamine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1645
Patents

260.13135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 160.5
[M+Na]+ 283.12057 168.0
[M-H]- 259.12407 169.7
[M+NH4]+ 278.16517 176.0
[M+K]+ 299.09451 161.6
[M+H-H2O]+ 243.12861 151.8
[M+HCOO]- 305.12955 185.7
[M+CH3COO]- 319.14520 172.5
[M+Na-2H]- 281.10602 165.6
[M]+ 260.13080 156.3
[M]- 260.13190 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.