CID 5361169

53757-95-2

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 156.7
[M+Na]+ 266.15153 168.1
[M+NH4]+ 261.19613 167.6
[M+K]+ 282.12547 163.8
[M-H]- 242.15503 158.9
[M+Na-2H]- 264.13698 157.6
[M]+ 243.16176 158.9
[M]- 243.16286 158.9
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.