CID 122706305

(10bs,4ar)-oxomaritinamine

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C(C=C2CN3CC[C@@]4([C@H]3CC(=O)CC4)C2=C1)O
InChI
InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,15,19H,2-5,7,9H2,1H3/t15-,16-/m1/s1
InChIKey
PYHUCQARENXJND-HZPDHXFCSA-N
Compound name
(1R,10R)-5-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

273.1365 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 162.4
[M+Na]+ 296.125718 169.8
[M-H]- 272.129224 165.7
[M+NH4]+ 291.170323 183.2
[M+K]+ 312.099658 165.1
[M+H-H2O]+ 256.133760 155.2
[M+HCOO]- 318.134701 175.9
[M+CH3COO]- 332.150351 173.1
[M+Na-2H]- 294.111166 165.6
[M]+ 273.13595142 159.7
[M]- 273.13704858 159.7
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.