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

104
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

literature stripe

Patent stripe

patents stripe