CID 6446977

O-methylakagerine

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C/C=C(/C=O)\C1C[C@H]2C3=C(CCN2C)C4=CC=CC=C4N3C(C1)OC
InChI
InChI=1S/C21H26N2O2/c1-4-14(13-24)15-11-19-21-17(9-10-22(19)2)16-7-5-6-8-18(16)23(21)20(12-15)25-3/h4-8,13,15,19-20H,9-12H2,1-3H3/b14-4-/t15?,19-,20?/m0/s1
InChIKey
SILDJCOKNNOTCC-UZUYXXOQSA-N
Compound name
(E)-2-[(5S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 179.6
[M+Na]+ 361.18865 190.1
[M+NH4]+ 356.23325 186.9
[M+K]+ 377.16259 185.6
[M-H]- 337.19215 180.7
[M+Na-2H]- 359.17410 180.9
[M]+ 338.19888 181.4
[M]- 338.19998 181.4
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.