CID 5746648

Brn 0040249

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN1CC[C@]23C=CCC[C@]2([C@H]1CC4=C3C(=C(C=C4)OC)O)O
InChI
InChI=1S/C18H23NO3/c1-19-10-9-17-7-3-4-8-18(17,21)14(19)11-12-5-6-13(22-2)16(20)15(12)17/h3,5-7,14,20-21H,4,8-11H2,1-2H3/t14-,17+,18-/m1/s1
InChIKey
WVMLRRRARMANTD-FHLIZLRMSA-N
Compound name
(1R,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.2
[M+Na]+ 324.15702 184.7
[M+NH4]+ 319.20162 184.0
[M+K]+ 340.13096 173.6
[M-H]- 300.16052 174.9
[M+Na-2H]- 322.14247 177.8
[M]+ 301.16725 175.1
[M]- 301.16835 175.1
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

patents stripe