CID 3055489

Brn 5182321

Structural Information

Molecular Formula
C34H28N2O
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)C4=CC(=C(C=C4)O)C5C6=CC=CC=C6N(C7=CC=CC=C57)C
InChI
InChI=1S/C34H28N2O/c1-35-28-15-7-3-11-23(28)33(24-12-4-8-16-29(24)35)22-19-20-32(37)27(21-22)34-25-13-5-9-17-30(25)36(2)31-18-10-6-14-26(31)34/h3-21,33-34,37H,1-2H3
InChIKey
BXBIOLIWLHJTLC-UHFFFAOYSA-N
Compound name
2,4-bis(10-methyl-9H-acridin-9-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.22015 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22743 224.9
[M+Na]+ 503.20937 232.2
[M-H]- 479.21287 232.6
[M+NH4]+ 498.25397 231.6
[M+K]+ 519.18331 221.5
[M+H-H2O]+ 463.21741 209.0
[M+HCOO]- 525.21835 233.6
[M+CH3COO]- 539.23400 230.2
[M+Na-2H]- 501.19482 226.6
[M]+ 480.21960 221.7
[M]- 480.22070 221.7
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.