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

literature stripe

Patent stripe

patents stripe