CID 42301

Dtxsid60206066

Structural Information

Molecular Formula
C16H21NO
SMILES
CN1[C@H]2CC[C@@H]1[C@H]3[C@@H](C2)CC4=CC=CC=C4[C@@H]3O
InChI
InChI=1S/C16H21NO/c1-17-12-6-7-14(17)15-11(9-12)8-10-4-2-3-5-13(10)16(15)18/h2-5,11-12,14-16,18H,6-9H2,1H3/t11-,12+,14-,15-,16+/m1/s1
InChIKey
KLKQXLPLFHRSIS-IPQWEPCOSA-N
Compound name
(1R,2R,3R,11R,13S)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 156.3
[M+Na]+ 266.15153 163.0
[M-H]- 242.15503 157.7
[M+NH4]+ 261.19613 177.5
[M+K]+ 282.12547 157.5
[M+H-H2O]+ 226.15957 149.8
[M+HCOO]- 288.16051 168.4
[M+CH3COO]- 302.17616 166.8
[M+Na-2H]- 264.13698 159.5
[M]+ 243.16176 151.9
[M]- 243.16286 151.9
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.