CID 71566778

Opiranserin

Structural Information

Molecular Formula
C21H34N2O5
SMILES
CCCCOC1=C(C=C(C=C1OC)C(=O)NCC2(CCOCC2)N(C)C)OC
InChI
InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)
InChIKey
JQUVQWMHZSYCRQ-UHFFFAOYSA-N
Compound name
4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

118
Patents

394.24677 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25405 197.1
[M+Na]+ 417.23599 199.4
[M-H]- 393.23949 204.3
[M+NH4]+ 412.28059 208.8
[M+K]+ 433.20993 200.4
[M+H-H2O]+ 377.24403 188.3
[M+HCOO]- 439.24497 216.5
[M+CH3COO]- 453.26062 230.4
[M+Na-2H]- 415.22144 197.8
[M]+ 394.24622 202.2
[M]- 394.24732 202.2
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.