CID 6434421

Brn 1232907

Structural Information

Molecular Formula
C24H28N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N3CCOCC3
InChI
InChI=1S/C24H28N4O4/c1-17(29)25-20-8-6-19(7-9-20)23(30)26-22(24(31)28-12-14-32-15-13-28)16-18-4-10-21(11-5-18)27(2)3/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,30)/b22-16+
InChIKey
SMSOUILAYCVAAH-CJLVFECKSA-N
Compound name
4-acetamido-N-[(E)-1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.21106 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21834 207.6
[M+Na]+ 459.20028 207.2
[M-H]- 435.20378 216.1
[M+NH4]+ 454.24488 212.5
[M+K]+ 475.17422 206.0
[M+H-H2O]+ 419.20832 196.0
[M+HCOO]- 481.20926 224.4
[M+CH3COO]- 495.22491 239.3
[M+Na-2H]- 457.18573 205.8
[M]+ 436.21051 204.4
[M]- 436.21161 204.4
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.