CID 98569

Argemonine(1+)

Structural Information

Molecular Formula
C21H25NO4
SMILES
CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC
InChI
InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3
InChIKey
QEOWCPFWLCIQSL-UHFFFAOYSA-N
Compound name
4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

355.17834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 185.7
[M+Na]+ 378.16756 194.3
[M-H]- 354.17106 189.0
[M+NH4]+ 373.21216 201.4
[M+K]+ 394.14150 190.7
[M+H-H2O]+ 338.17560 176.5
[M+HCOO]- 400.17654 199.5
[M+CH3COO]- 414.19219 221.9
[M+Na-2H]- 376.15301 189.7
[M]+ 355.17779 191.9
[M]- 355.17889 191.9
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