CID 90236

Methanol, tris(p-anilinophenyl)-

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

5
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 224.7
[M+Na]+ 556.23592 225.6
[M-H]- 532.23942 238.9
[M+NH4]+ 551.28052 225.6
[M+K]+ 572.20986 216.5
[M+H-H2O]+ 516.24396 210.3
[M+HCOO]- 578.24490 244.5
[M+CH3COO]- 592.26055 229.5
[M+Na-2H]- 554.22137 230.7
[M]+ 533.24615 218.4
[M]- 533.24725 218.4
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

patents stripe