CID 115824

Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CCC(C(C1)N=CC2=CC=CC=C2O)N=CC3=CC=CC=C3O
InChI
InChI=1S/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2
InChIKey
WCSLPBBQHFXWBW-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

189
Patents

322.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.2
[M+Na]+ 345.15734 180.0
[M-H]- 321.16084 184.9
[M+NH4]+ 340.20194 189.2
[M+K]+ 361.13128 174.7
[M+H-H2O]+ 305.16538 166.5
[M+HCOO]- 367.16632 198.4
[M+CH3COO]- 381.18197 211.7
[M+Na-2H]- 343.14279 179.3
[M]+ 322.16757 171.5
[M]- 322.16867 171.5
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