CID 5361242

5h-cyclohepta(b)naphthalen-6,9-imin-5-one, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5ar-(5a-alpha,6-alpha,9-alpha,10a-alpha))-

Structural Information

Molecular Formula
C16H19NO
SMILES
CN1[C@H]2CC[C@@H]1[C@H]3[C@@H](C2)CC4=CC=CC=C4C3=O
InChI
InChI=1S/C16H19NO/c1-17-12-6-7-14(17)15-11(9-12)8-10-4-2-3-5-13(10)16(15)18/h2-5,11-12,14-15H,6-9H2,1H3/t11-,12+,14-,15-/m1/s1
InChIKey
NHTZLYOHXAMUKC-AYRXBEOTSA-N
Compound name
(1R,2R,11R,13S)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.1
[M+Na]+ 264.13589 168.7
[M+NH4]+ 259.18049 167.0
[M+K]+ 280.10983 162.0
[M-H]- 240.13939 158.7
[M+Na-2H]- 262.12134 157.9
[M]+ 241.14612 158.6
[M]- 241.14722 158.6
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.