CID 90236

23681-60-9

Structural Information

Molecular Formula
C37H31N3O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C3=CC=C(C=C3)NC4=CC=CC=C4)(C5=CC=C(C=C5)NC6=CC=CC=C6)O
InChI
InChI=1S/C37H31N3O/c41-37(28-16-22-34(23-17-28)38-31-10-4-1-5-11-31,29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-41H
InChIKey
QIVYWOAVUUJDEC-UHFFFAOYSA-N
Compound name
tris(4-anilinophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

533.2467 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.25398 242.5
[M+Na]+ 556.23592 260.5
[M+NH4]+ 551.28052 250.6
[M+K]+ 572.20986 247.1
[M-H]- 532.23942 257.6
[M+Na-2H]- 554.22137 259.6
[M]+ 533.24615 249.8
[M]- 533.24725 249.8
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