CID 106444

Dtxsid3071016

Structural Information

Molecular Formula
C25H23N3O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C3=CC=C(C=C3)N)(C4=CC=C(C=C4)N)O
InChI
InChI=1S/C25H23N3O/c26-21-12-6-18(7-13-21)25(29,19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23/h1-17,28-29H,26-27H2
InChIKey
PKYBTWMTSARYJR-UHFFFAOYSA-N
Compound name
bis(4-aminophenyl)-(4-anilinophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1841 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19138 190.4
[M+Na]+ 404.17332 194.8
[M-H]- 380.17682 200.4
[M+NH4]+ 399.21792 199.0
[M+K]+ 420.14726 187.3
[M+H-H2O]+ 364.18136 179.9
[M+HCOO]- 426.18230 212.1
[M+CH3COO]- 440.19795 198.8
[M+Na-2H]- 402.15877 195.6
[M]+ 381.18355 184.4
[M]- 381.18465 184.4
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.