CID 104949

4,4''-diamino-p-terphenyl

Structural Information

Molecular Formula
C18H16N2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
InChIKey
QBSMHWVGUPQNJJ-UHFFFAOYSA-N
Compound name
4-[4-(4-aminophenyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4711
Patents

260.13135 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe