CID 111970

68966-33-6

Structural Information

Molecular Formula
C31H27N3O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C3=CC=C(C=C3)N)(C4=CC=C(C=C4)NC5=CC=CC=C5)O
InChI
InChI=1S/C31H27N3O/c32-26-17-11-23(12-18-26)31(35,24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28/h1-22,33-35H,32H2
InChIKey
QRFCCCIWAVNXSF-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-bis(4-anilinophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.21542 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.22270 220.6
[M+Na]+ 480.20464 237.0
[M+NH4]+ 475.24924 228.7
[M+K]+ 496.17858 225.7
[M-H]- 456.20814 233.4
[M+Na-2H]- 478.19009 235.7
[M]+ 457.21487 226.9
[M]- 457.21597 226.9
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.