CID 5493350

26989-36-6

Structural Information

Molecular Formula
C19H23NO3
SMILES
C=CCN1CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C=C(C=C4)O)O
InChI
InChI=1S/C19H23NO3/c1-2-8-20-9-7-18-12-15(22)5-6-19(18,23)17(20)10-13-3-4-14(21)11-16(13)18/h2-4,11,17,21,23H,1,5-10,12H2/t17-,18-,19-/m1/s1
InChIKey
KIMPCQAMSPRQRE-GUDVDZBRSA-N
Compound name
(1R,9R,10S)-4,10-dihydroxy-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.4
[M+Na]+ 336.15702 187.8
[M+NH4]+ 331.20162 187.4
[M+K]+ 352.13096 176.5
[M-H]- 312.16052 178.3
[M+Na-2H]- 334.14247 180.7
[M]+ 313.16725 178.7
[M]- 313.16835 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.