CID 6106679

39229-60-2

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H20N2O4/c1-12-5-7-13(8-6-12)11-19-20-18(21)14-9-15(22-2)17(24-4)16(10-14)23-3/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKey
MPFYNDGWCNVZTH-YBFXNURJSA-N
Compound name
3,4,5-trimethoxy-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 176.4
[M+Na]+ 351.131518 183.6
[M-H]- 327.135024 184.9
[M+NH4]+ 346.176123 190.7
[M+K]+ 367.105458 181.6
[M+H-H2O]+ 311.139560 167.3
[M+HCOO]- 373.140501 203.1
[M+CH3COO]- 387.156151 217.5
[M+Na-2H]- 349.116966 179.6
[M]+ 328.14175142 182.4
[M]- 328.14284858 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.