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]+ 242.153946 155.1
[M+Na]+ 264.135888 162.5
[M-H]- 240.139394 157.8
[M+NH4]+ 259.180493 176.9
[M+K]+ 280.109828 157.1
[M+H-H2O]+ 224.143930 148.2
[M+HCOO]- 286.144871 168.9
[M+CH3COO]- 300.160521 166.2
[M+Na-2H]- 262.121336 158.6
[M]+ 241.14612142 151.6
[M]- 241.14721858 151.6
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.