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 155.1
[M+Na]+ 264.13589 162.5
[M-H]- 240.13939 157.8
[M+NH4]+ 259.18049 176.9
[M+K]+ 280.10983 157.1
[M+H-H2O]+ 224.14393 148.2
[M+HCOO]- 286.14487 168.9
[M+CH3COO]- 300.16052 166.2
[M+Na-2H]- 262.12134 158.6
[M]+ 241.14612 151.6
[M]- 241.14722 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.