CID 218486

40713-22-2

Structural Information

Molecular Formula
C18H22N2O7
SMILES
CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)N3CCOCC3)C)[N+](=O)[O-]
InChI
InChI=1S/C18H22N2O7/c1-4-25-16-13(20(22)23)10-12-11(3)14(27-15(12)17(16)26-5-2)18(21)19-6-8-24-9-7-19/h10H,4-9H2,1-3H3
InChIKey
WDHVOCMAKMILAZ-UHFFFAOYSA-N
Compound name
(6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1427 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14998 187.9
[M+Na]+ 401.13192 193.7
[M-H]- 377.13542 195.7
[M+NH4]+ 396.17652 197.7
[M+K]+ 417.10586 189.8
[M+H-H2O]+ 361.13996 184.2
[M+HCOO]- 423.14090 206.2
[M+CH3COO]- 437.15655 212.9
[M+Na-2H]- 399.11737 191.7
[M]+ 378.14215 192.8
[M]- 378.14325 192.8
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.