CID 6444430

Brn 2679605

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CCN(CC)CCNC(=O)/C(=C\C1=CC(=CC=C1)OC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H29N3O3/c1-4-26(5-2)15-14-24-23(28)21(17-18-10-9-13-20(16-18)29-3)25-22(27)19-11-7-6-8-12-19/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,24,28)(H,25,27)/b21-17+
InChIKey
SGQRDMRXUVKBGT-HEHNFIMWSA-N
Compound name
N-[(E)-3-[2-(diethylamino)ethylamino]-1-(3-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2209 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 199.9
[M+Na]+ 418.21012 200.7
[M-H]- 394.21362 206.3
[M+NH4]+ 413.25472 209.8
[M+K]+ 434.18406 198.1
[M+H-H2O]+ 378.21816 189.5
[M+HCOO]- 440.21910 222.9
[M+CH3COO]- 454.23475 232.9
[M+Na-2H]- 416.19557 199.3
[M]+ 395.22035 201.5
[M]- 395.22145 201.5
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.