CID 6440496

10-hydroxy-17-o-methylakagerine

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C/C=C(\C=O)/[C@@H]1C[C@H]2C3=C(CCN2C)C4=C(N3[C@H](C1)OC)C=CC(=C4)O
InChI
InChI=1S/C21H26N2O3/c1-4-13(12-24)14-9-19-21-16(7-8-22(19)2)17-11-15(25)5-6-18(17)23(21)20(10-14)26-3/h4-6,11-12,14,19-20,25H,7-10H2,1-3H3/b13-4+/t14-,19+,20+/m1/s1
InChIKey
KQIJOWWBWNZTPC-XTEKPLMPSA-N
Compound name
(Z)-2-[(5S,7R,9S)-14-hydroxy-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-7-yl]but-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 182.8
[M+Na]+ 377.18356 192.7
[M+NH4]+ 372.22816 189.2
[M+K]+ 393.15750 189.1
[M-H]- 353.18706 183.1
[M+Na-2H]- 375.16901 182.9
[M]+ 354.19379 184.2
[M]- 354.19489 184.2
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.