CID 11818191

Maritinamine

Structural Information

Molecular Formula
C16H21NO3
SMILES
COC1=C(C=C2CN3CC[C@]4([C@@H]3C[C@@H](CC4)O)C2=C1)O
InChI
InChI=1S/C16H21NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,11,15,18-19H,2-5,7,9H2,1H3/t11-,15+,16+/m1/s1
InChIKey
CTECRPNIWSEFRW-RLCCDNCMSA-N
Compound name
(1S,10S,12R)-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,12-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 163.8
[M+Na]+ 298.14135 170.5
[M-H]- 274.14485 165.7
[M+NH4]+ 293.18595 183.9
[M+K]+ 314.11529 165.7
[M+H-H2O]+ 258.14939 156.9
[M+HCOO]- 320.15033 175.6
[M+CH3COO]- 334.16598 173.8
[M+Na-2H]- 296.12680 166.7
[M]+ 275.15158 160.1
[M]- 275.15268 160.1
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.