CID 102385

3221-64-5

Structural Information

Molecular Formula
C33H32N4O4
SMILES
C1=CC=C(C(=C1)C=NCC(CN=CC2=CC=CC=C2O)(CN=CC3=CC=CC=C3O)CN=CC4=CC=CC=C4O)O
InChI
InChI=1S/C33H32N4O4/c38-29-13-5-1-9-25(29)17-34-21-33(22-35-18-26-10-2-6-14-30(26)39,23-36-19-27-11-3-7-15-31(27)40)24-37-20-28-12-4-8-16-32(28)41/h1-20,38-41H,21-24H2
InChIKey
AUGGJOPHYLIYTD-UHFFFAOYSA-N
Compound name
2-[[3-[(2-hydroxyphenyl)methylideneamino]-2,2-bis[[(2-hydroxyphenyl)methylideneamino]methyl]propyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

548.2424 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.24968 240.4
[M+Na]+ 571.23162 252.1
[M+NH4]+ 566.27622 244.2
[M+K]+ 587.20556 242.4
[M-H]- 547.23512 248.9
[M+Na-2H]- 569.21707 250.4
[M]+ 548.24185 244.2
[M]- 548.24295 244.2
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