CID 3055490

Phenol, 2,6-bis(9,10-dihydro-10-methyl-9-acridinyl)-4-methyl-

Structural Information

Molecular Formula
C35H30N2O
SMILES
CC1=CC(=C(C(=C1)C2C3=CC=CC=C3N(C4=CC=CC=C24)C)O)C5C6=CC=CC=C6N(C7=CC=CC=C57)C
InChI
InChI=1S/C35H30N2O/c1-22-20-27(33-23-12-4-8-16-29(23)36(2)30-17-9-5-13-24(30)33)35(38)28(21-22)34-25-14-6-10-18-31(25)37(3)32-19-11-7-15-26(32)34/h4-21,33-34,38H,1-3H3
InChIKey
ZRDXFTMMYAVNHL-UHFFFAOYSA-N
Compound name
4-methyl-2,6-bis(10-methyl-9H-acridin-9-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.2358 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24308 230.9
[M+Na]+ 517.22502 238.5
[M-H]- 493.22852 238.7
[M+NH4]+ 512.26962 237.2
[M+K]+ 533.19896 227.8
[M+H-H2O]+ 477.23306 214.8
[M+HCOO]- 539.23400 239.1
[M+CH3COO]- 553.24965 235.9
[M+Na-2H]- 515.21047 231.3
[M]+ 494.23525 228.3
[M]- 494.23635 228.3
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.