CID 135520706

674285-08-6

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1CC[C@H]([C@@H](C1)N=CC2=C(C(=CC=C2)O)O)N=CC3=C(C(=CC=C3)O)O
InChI
InChI=1S/C20H22N2O4/c23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26/h3-6,9-12,15-16,23-26H,1-2,7-8H2/t15-,16-/m1/s1
InChIKey
CPBBZPRIUALXOD-HZPDHXFCSA-N
Compound name
3-[[(1R,2R)-2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 185.6
[M+Na]+ 377.14718 196.8
[M+NH4]+ 372.19178 191.6
[M+K]+ 393.12112 190.1
[M-H]- 353.15068 191.0
[M+Na-2H]- 375.13263 192.1
[M]+ 354.15741 188.4
[M]- 354.15851 188.4
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

No patent data available for this compound.