CID 116583

64346-29-8

Structural Information

Molecular Formula
C23H28N4O4
SMILES
C1COCCN1C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)N4CCOCC4
InChI
InChI=1S/C23H28N4O4/c28-22(26-9-13-30-14-10-26)24-20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)25-23(29)27-11-15-31-16-12-27/h1-8H,9-17H2,(H,24,28)(H,25,29)
InChIKey
USSHOWKVNUKKTM-UHFFFAOYSA-N
Compound name
N-[4-[[4-(morpholine-4-carbonylamino)phenyl]methyl]phenyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

7
Patents

424.21106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21834 203.2
[M+Na]+ 447.20028 202.4
[M-H]- 423.20378 211.9
[M+NH4]+ 442.24488 205.1
[M+K]+ 463.17422 200.4
[M+H-H2O]+ 407.20832 190.0
[M+HCOO]- 469.20926 215.0
[M+CH3COO]- 483.22491 208.5
[M+Na-2H]- 445.18573 204.1
[M]+ 424.21051 195.8
[M]- 424.21161 195.8
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

patents stripe