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]+ 276.159406 163.8
[M+Na]+ 298.141348 170.5
[M-H]- 274.144854 165.7
[M+NH4]+ 293.185953 183.9
[M+K]+ 314.115288 165.7
[M+H-H2O]+ 258.149390 156.9
[M+HCOO]- 320.150331 175.6
[M+CH3COO]- 334.165981 173.8
[M+Na-2H]- 296.126796 166.7
[M]+ 275.15158142 160.1
[M]- 275.15267858 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.