CID 3085874

4,4'-methylenebis(4-hydroxy-n-benzylideneaniline)

Structural Information

Molecular Formula
C27H22N2O2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N=CC3=CC=C(C=C3)O)N=CC4=CC=C(C=C4)O
InChI
InChI=1S/C27H22N2O2/c30-26-13-5-22(6-14-26)18-28-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)29-19-23-7-15-27(31)16-8-23/h1-16,18-19,30-31H,17H2
InChIKey
IJCNUYVKXSZHSF-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 200.4
[M+Na]+ 429.15734 206.1
[M-H]- 405.16084 212.6
[M+NH4]+ 424.20194 209.5
[M+K]+ 445.13128 198.5
[M+H-H2O]+ 389.16538 188.5
[M+HCOO]- 451.16632 225.2
[M+CH3COO]- 465.18197 209.6
[M+Na-2H]- 427.14279 204.3
[M]+ 406.16757 199.7
[M]- 406.16867 199.7
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

patents stripe