CID 5462509

N-methylmorphinan

Structural Information

Molecular Formula
C17H23N
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=CC=CC=C34
InChI
InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3/t15-,16+,17-/m0/s1
InChIKey
IHBSVVZENGBQDY-BBWFWOEESA-N
Compound name
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

241.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 158.1
[M+Na]+ 264.17226 162.6
[M-H]- 240.17576 161.3
[M+NH4]+ 259.21686 178.4
[M+K]+ 280.14620 157.4
[M+H-H2O]+ 224.18030 148.6
[M+HCOO]- 286.18124 169.8
[M+CH3COO]- 300.19689 167.8
[M+Na-2H]- 262.15771 163.6
[M]+ 241.18249 150.4
[M]- 241.18359 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe