CID 5361169

Dtxsid50968520

Structural Information

Molecular Formula
C16H21NO
SMILES
CN1C2CCC1[C@H]3CC4=C([C@H]3C2)C=C(C=C4)OC
InChI
InChI=1S/C16H21NO/c1-17-11-4-6-16(17)15-7-10-3-5-12(18-2)9-13(10)14(15)8-11/h3,5,9,11,14-16H,4,6-8H2,1-2H3/t11?,14-,15+,16?/m1/s1
InChIKey
POOJTXZNQAKKPE-SKLNQHAPSA-N
Compound name
(2S,10S)-7-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 158.1
[M+Na]+ 266.151528 166.2
[M-H]- 242.155034 161.4
[M+NH4]+ 261.196133 182.0
[M+K]+ 282.125468 161.5
[M+H-H2O]+ 226.159570 152.4
[M+HCOO]- 288.160511 174.1
[M+CH3COO]- 302.176161 170.0
[M+Na-2H]- 264.136976 159.7
[M]+ 243.16176142 157.8
[M]- 243.16285858 157.8
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.