CID 66871

101-74-6

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H16N2O/c21-18-12-10-17(11-13-18)20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19-21H
InChIKey
JWKZWDVKRDSMLD-UHFFFAOYSA-N
Compound name
4-(4-anilinoanilino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

276.12625 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 161.7
[M+Na]+ 299.11547 167.6
[M-H]- 275.11897 170.1
[M+NH4]+ 294.16007 175.9
[M+K]+ 315.08941 161.7
[M+H-H2O]+ 259.12351 152.8
[M+HCOO]- 321.12445 186.8
[M+CH3COO]- 335.14010 173.0
[M+Na-2H]- 297.10092 169.3
[M]+ 276.12570 158.6
[M]- 276.12680 158.6
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

patents stripe