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]+ 272.128126 160.6
[M+Na]+ 294.110068 168.7
[M-H]- 270.113574 163.3
[M+NH4]+ 289.154673 180.3
[M+K]+ 310.084008 164.0
[M+H-H2O]+ 254.118110 153.9
[M+HCOO]- 316.119051 174.9
[M+CH3COO]- 330.134701 171.7
[M+Na-2H]- 292.095516 163.9
[M]+ 271.12030142 160.2
[M]- 271.12139858 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.