CID 201780

16-oxidelupanine hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
C1CC[N@+]2(C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@H]3CCCC4=O)[O-]
InChI
InChI=1S/C15H24N2O2/c18-15-6-3-4-13-12-8-11(9-16(13)15)14-5-1-2-7-17(14,19)10-12/h11-14H,1-10H2/t11-,12-,13+,14+,17-/m1/s1
InChIKey
LQMLWHXYFHXGTC-NLIDSEJHSA-N
Compound name
(1R,2S,9R,10S,15R)-15-oxido-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 161.1
[M+Na]+ 287.17300 163.4
[M-H]- 263.17650 159.0
[M+NH4]+ 282.21760 178.6
[M+K]+ 303.14694 154.1
[M+H-H2O]+ 247.18104 156.3
[M+HCOO]- 309.18198 166.0
[M+CH3COO]- 323.19763 189.2
[M+Na-2H]- 285.15845 166.9
[M]+ 264.18323 148.3
[M]- 264.18433 148.3
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.