CID 40865

53757-90-7

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN1C2CCC1[C@@H]3[C@H](C2)C4=C(C3=O)C=CC(=C4)OC
InChI
InChI=1S/C16H19NO2/c1-17-9-3-6-14(17)15-13(7-9)12-8-10(19-2)4-5-11(12)16(15)18/h4-5,8-9,13-15H,3,6-7H2,1-2H3/t9?,13-,14?,15+/m1/s1
InChIKey
IZLJLUXXXUCZMN-PWWUPHOWSA-N
Compound name
(2S,10S)-7-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 160.1
[M+Na]+ 280.130788 169.1
[M-H]- 256.134294 163.8
[M+NH4]+ 275.175393 183.5
[M+K]+ 296.104728 164.4
[M+H-H2O]+ 240.138830 154.7
[M+HCOO]- 302.139771 176.3
[M+CH3COO]- 316.155421 172.2
[M+Na-2H]- 278.116236 161.2
[M]+ 257.14102142 160.9
[M]- 257.14211858 160.9
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.