CID 3063679

101398-18-9

Structural Information

Molecular Formula
C21H22ClN3O4
SMILES
C1COCCN1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22ClN3O4/c22-16-6-7-18(17(12-16)21(28)15-4-2-1-3-5-15)24-19(26)13-23-20(27)14-25-8-10-29-11-9-25/h1-7,12H,8-11,13-14H2,(H,23,27)(H,24,26)
InChIKey
NORRFSDOFCQVQD-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.12988 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13716 197.9
[M+Na]+ 438.11910 200.2
[M-H]- 414.12260 205.3
[M+NH4]+ 433.16370 204.4
[M+K]+ 454.09304 196.4
[M+H-H2O]+ 398.12714 187.6
[M+HCOO]- 460.12808 210.5
[M+CH3COO]- 474.14373 226.4
[M+Na-2H]- 436.10455 198.3
[M]+ 415.12933 197.1
[M]- 415.13043 197.1
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.