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]+ 274.14378 162.4
[M+Na]+ 296.12572 169.8
[M-H]- 272.12922 165.7
[M+NH4]+ 291.17032 183.2
[M+K]+ 312.09966 165.1
[M+H-H2O]+ 256.13376 155.2
[M+HCOO]- 318.13470 175.9
[M+CH3COO]- 332.15035 173.1
[M+Na-2H]- 294.11117 165.6
[M]+ 273.13595 159.7
[M]- 273.13705 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.