CID 3069735

85080-25-7

Structural Information

Molecular Formula
C21H23N3O4
SMILES
C1COCCN1CCNC(=O)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O4/c25-19(21(27)22-10-11-24-12-14-28-15-13-24)17-8-4-5-9-18(17)23-20(26)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,27)(H,23,26)
InChIKey
MYWNETJPBZPJOD-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 190.7
[M+Na]+ 404.15807 191.2
[M-H]- 380.16157 197.8
[M+NH4]+ 399.20267 197.3
[M+K]+ 420.13201 188.9
[M+H-H2O]+ 364.16611 179.4
[M+HCOO]- 426.16705 207.8
[M+CH3COO]- 440.18270 221.6
[M+Na-2H]- 402.14352 192.3
[M]+ 381.16830 186.8
[M]- 381.16940 186.8
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.