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

4
Patents

437.19507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20235 203.3
[M+Na]+ 460.18429 200.8
[M-H]- 436.18779 214.2
[M+NH4]+ 455.22889 208.6
[M+K]+ 476.15823 195.3
[M+H-H2O]+ 420.19233 196.3
[M+HCOO]- 482.19327 219.2
[M+CH3COO]- 496.20892 225.9
[M+Na-2H]- 458.16974 202.4
[M]+ 437.19452 196.4
[M]- 437.19562 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