CID 122706134

Noroxopluviine

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=C(C=C2CN3CCC4=CCC(=O)[C@H]([C@@H]43)C2=C1)O
InChI
InChI=1S/C16H17NO3/c1-20-14-7-11-10(6-13(14)19)8-17-5-4-9-2-3-12(18)15(11)16(9)17/h2,6-7,15-16,19H,3-5,8H2,1H3/t15-,16-/m1/s1
InChIKey
LIWLTUWHHWEKGM-HZPDHXFCSA-N
Compound name
(1S,16S)-5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

271.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 160.6
[M+Na]+ 294.11007 168.7
[M-H]- 270.11357 163.3
[M+NH4]+ 289.15467 180.3
[M+K]+ 310.08401 164.0
[M+H-H2O]+ 254.11811 153.9
[M+HCOO]- 316.11905 174.9
[M+CH3COO]- 330.13470 171.7
[M+Na-2H]- 292.09552 163.9
[M]+ 271.12030 160.2
[M]- 271.12140 160.2
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.