CID 3846757

Oprea1_812075

Structural Information

Molecular Formula
C26H29N3O3
SMILES
CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H29N3O3/c1-29(2)21-12-9-20(10-13-21)18-28-23-8-6-5-7-22(23)26(30)27-16-15-19-11-14-24(31-3)25(17-19)32-4/h5-14,17-18H,15-16H2,1-4H3,(H,27,30)
InChIKey
IRHPZTJZQZIYBH-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

431.2209 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.228176 208.6
[M+Na]+ 454.210118 212.6
[M-H]- 430.213624 220.3
[M+NH4]+ 449.254723 218.1
[M+K]+ 470.184058 209.3
[M+H-H2O]+ 414.218160 196.6
[M+HCOO]- 476.219101 234.9
[M+CH3COO]- 490.234751 243.3
[M+Na-2H]- 452.195566 209.7
[M]+ 431.22035142 213.5
[M]- 431.22144858 213.5
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.