CID 3062050

4-morpholineacetamide, n-(2-benzoyl-4-nitrophenyl)-n-cyclopentyl-

Structural Information

Molecular Formula
C24H27N3O5
SMILES
C1CCC(C1)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)CN4CCOCC4
InChI
InChI=1S/C24H27N3O5/c28-23(17-25-12-14-32-15-13-25)26(19-8-4-5-9-19)22-11-10-20(27(30)31)16-21(22)24(29)18-6-2-1-3-7-18/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,17H2
InChIKey
ORWUPLMQGLTXIB-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-cyclopentyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

437.19507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.202346 203.3
[M+Na]+ 460.184288 200.8
[M-H]- 436.187794 214.2
[M+NH4]+ 455.228893 208.6
[M+K]+ 476.158228 195.3
[M+H-H2O]+ 420.192330 196.3
[M+HCOO]- 482.193271 219.2
[M+CH3COO]- 496.208921 225.9
[M+Na-2H]- 458.169736 202.4
[M]+ 437.19452142 196.4
[M]- 437.19561858 196.4
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

patents stripe