CID 292211

Nsc157870

Structural Information

Molecular Formula
C20H27NO4
SMILES
CN1CCC23CC4(CCC2C1CC5=C3C(=C(C=C5)OC)O)OCCO4
InChI
InChI=1S/C20H27NO4/c1-21-8-7-19-12-20(24-9-10-25-20)6-5-14(19)15(21)11-13-3-4-16(23-2)18(22)17(13)19/h3-4,14-15,22H,5-12H2,1-2H3
InChIKey
JTYRAFPUZSECSU-UHFFFAOYSA-N
Compound name
4'-methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 180.9
[M+Na]+ 368.18322 186.6
[M-H]- 344.18672 186.7
[M+NH4]+ 363.22782 197.9
[M+K]+ 384.15716 184.2
[M+H-H2O]+ 328.19126 171.9
[M+HCOO]- 390.19220 187.9
[M+CH3COO]- 404.20785 189.7
[M+Na-2H]- 366.16867 183.6
[M]+ 345.19345 177.2
[M]- 345.19455 177.2
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.