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]+ 244.16959 158.1
[M+Na]+ 266.15153 166.2
[M-H]- 242.15503 161.4
[M+NH4]+ 261.19613 182.0
[M+K]+ 282.12547 161.5
[M+H-H2O]+ 226.15957 152.4
[M+HCOO]- 288.16051 174.1
[M+CH3COO]- 302.17616 170.0
[M+Na-2H]- 264.13698 159.7
[M]+ 243.16176 157.8
[M]- 243.16286 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.