CID 482304

Rd3-0198

Structural Information

Molecular Formula
C18H20N2O4
SMILES
COC1=CC(=C(C=C1)O)C=NCCN=CC2=C(C=CC(=C2)OC)O
InChI
InChI=1S/C18H20N2O4/c1-23-15-3-5-17(21)13(9-15)11-19-7-8-20-12-14-10-16(24-2)4-6-18(14)22/h3-6,9-12,21-22H,7-8H2,1-2H3
InChIKey
XWAZYZAEYOMRJH-UHFFFAOYSA-N
Compound name
2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

328.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 176.1
[M+Na]+ 351.131518 183.1
[M-H]- 327.135024 183.1
[M+NH4]+ 346.176123 189.8
[M+K]+ 367.105458 179.7
[M+H-H2O]+ 311.139560 167.1
[M+HCOO]- 373.140501 202.3
[M+CH3COO]- 387.156151 214.3
[M+Na-2H]- 349.116966 180.0
[M]+ 328.14175142 180.8
[M]- 328.14284858 180.8
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