CID 5463854

Norlevorphanol

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O
InChI
InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1
InChIKey
IYNWSQDZXMGGGI-NUEKZKHPSA-N
Compound name
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

46
References

8417
Patents

243.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 157.2
[M+Na]+ 266.15153 161.4
[M-H]- 242.15503 157.9
[M+NH4]+ 261.19613 176.1
[M+K]+ 282.12547 155.4
[M+H-H2O]+ 226.15957 148.8
[M+HCOO]- 288.16051 166.5
[M+CH3COO]- 302.17616 166.0
[M+Na-2H]- 264.13698 162.8
[M]+ 243.16176 147.4
[M]- 243.16286 147.4
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