CID 120759

Spermostrychnin

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC1C2CN3CCC45C3CC2C(C4N(C6=CC=CC=C56)C(=O)C)CO1
InChI
InChI=1S/C21H26N2O2/c1-12-15-10-22-8-7-21-17-5-3-4-6-18(17)23(13(2)24)20(21)16(11-25-12)14(15)9-19(21)22/h3-6,12,14-16,19-20H,7-11H2,1-2H3
InChIKey
BYQCMXYHBHKSQD-UHFFFAOYSA-N
Compound name
1-(16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5,7,9-trien-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 179.3
[M+Na]+ 361.18865 184.4
[M-H]- 337.19215 181.4
[M+NH4]+ 356.23325 199.3
[M+K]+ 377.16259 179.4
[M+H-H2O]+ 321.19669 170.4
[M+HCOO]- 383.19763 183.9
[M+CH3COO]- 397.21328 187.3
[M+Na-2H]- 359.17410 178.3
[M]+ 338.19888 177.1
[M]- 338.19998 177.1
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

No patent data available for this compound.