CID 40879

5h-cyclohepta(b)naphthalen-6,9-imine, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5as-(5a-alpha,6-beta,9-beta,10a-alpha))-

Structural Information

Molecular Formula
C16H21N
SMILES
CN1C2CCC1[C@@H]3CC4=CC=CC=C4C[C@@H]3C2
InChI
InChI=1S/C16H21N/c1-17-14-6-7-16(17)15-10-12-5-3-2-4-11(12)8-13(15)9-14/h2-5,13-16H,6-10H2,1H3/t13-,14?,15-,16?/m1/s1
InChIKey
CRQIXKUTZFNGKS-YHNBSYBMSA-N
Compound name
(2R,11R)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 153.8
[M+Na]+ 250.15662 166.5
[M+NH4]+ 245.20122 165.6
[M+K]+ 266.13056 159.2
[M-H]- 226.16012 157.2
[M+Na-2H]- 248.14207 156.4
[M]+ 227.16685 156.6
[M]- 227.16795 156.6
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.