CID 5492870

3205-48-9

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CC[C@]23C[C@@H](CC[C@]2([C@H]1CC4=C3C=C(C=C4)OC)O)O
InChI
InChI=1S/C18H25NO3/c1-19-8-7-17-11-13(20)5-6-18(17,21)16(19)9-12-3-4-14(22-2)10-15(12)17/h3-4,10,13,16,20-21H,5-9,11H2,1-2H3/t13-,16-,17-,18-/m1/s1
InChIKey
PJTRXTXJJAGLKK-BNEJOLLZSA-N
Compound name
(1R,9R,10S,13R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 173.3
[M+Na]+ 326.17266 179.3
[M-H]- 302.17616 174.7
[M+NH4]+ 321.21726 192.2
[M+K]+ 342.14660 174.6
[M+H-H2O]+ 286.18070 164.9
[M+HCOO]- 348.18164 182.0
[M+CH3COO]- 362.19729 182.0
[M+Na-2H]- 324.15811 177.8
[M]+ 303.18289 168.5
[M]- 303.18399 168.5
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.