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]+ 329.14958 176.4
[M+Na]+ 351.13152 183.6
[M-H]- 327.13502 184.9
[M+NH4]+ 346.17612 190.7
[M+K]+ 367.10546 181.6
[M+H-H2O]+ 311.13956 167.3
[M+HCOO]- 373.14050 203.1
[M+CH3COO]- 387.15615 217.5
[M+Na-2H]- 349.11697 179.6
[M]+ 328.14175 182.4
[M]- 328.14285 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.