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 182.7
[M+Na]+ 377.14718 187.1
[M-H]- 353.15068 189.4
[M+NH4]+ 372.19178 193.3
[M+K]+ 393.12112 181.8
[M+H-H2O]+ 337.15522 173.5
[M+HCOO]- 399.15616 202.1
[M+CH3COO]- 413.17181 214.5
[M+Na-2H]- 375.13263 183.8
[M]+ 354.15741 178.1
[M]- 354.15851 178.1
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.