CID 5746388

74924-35-9

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)OC
InChI
InChI=1S/C19H25NO3/c1-20-9-8-19-11-13(21)5-6-14(19)15(20)10-12-4-7-16(22-2)18(23-3)17(12)19/h4,7,14-15H,5-6,8-11H2,1-3H3/t14-,15+,19-/m0/s1
InChIKey
YXHAMVMGQAWTHT-KHYOSLBOSA-N
Compound name
(1S,9R,10R)-3,4-dimethoxy-17-methyl-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

315.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 175.3
[M+Na]+ 338.17266 181.5
[M-H]- 314.17616 179.1
[M+NH4]+ 333.21726 193.1
[M+K]+ 354.14660 177.5
[M+H-H2O]+ 298.18070 166.0
[M+HCOO]- 360.18164 186.8
[M+CH3COO]- 374.19729 184.8
[M+Na-2H]- 336.15811 178.3
[M]+ 315.18289 173.3
[M]- 315.18399 173.3
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.