CID 376962

Nsc658162

Structural Information

Molecular Formula
C20H25NO4
SMILES
CN1CCC23C4C(CC2(C1)C=CC5=C3C(=C(C=C5)OC)O4)(OC)OC
InChI
InChI=1S/C20H25NO4/c1-21-10-9-19-15-13-5-6-14(22-2)16(15)25-17(19)20(23-3,24-4)11-18(19,12-21)8-7-13/h5-8,17H,9-12H2,1-4H3
InChIKey
FRGLCSZKHVYAEC-UHFFFAOYSA-N
Compound name
3,3,7-trimethoxy-15-methyl-5-oxa-15-azapentacyclo[8.6.2.01,12.04,12.06,11]octadeca-6,8,10,17-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 177.0
[M+Na]+ 366.167558 185.8
[M-H]- 342.171064 183.6
[M+NH4]+ 361.212163 200.8
[M+K]+ 382.141498 182.9
[M+H-H2O]+ 326.175600 169.3
[M+HCOO]- 388.176541 190.5
[M+CH3COO]- 402.192191 188.3
[M+Na-2H]- 364.153006 181.3
[M]+ 343.17779142 182.4
[M]- 343.17888858 182.4
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

No patent data available for this compound.