CID 3032929

N-cyclopropylmethylnornuciferine

Structural Information

Molecular Formula
C22H25NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC5CC5)OC
InChI
InChI=1S/C22H25NO2/c1-24-19-12-16-9-10-23(13-14-7-8-14)18-11-15-5-3-4-6-17(15)21(20(16)18)22(19)25-2/h3-6,12,14,18H,7-11,13H2,1-2H3/t18-/m1/s1
InChIKey
BJEQFZJCWZPYQZ-GOSISDBHSA-N
Compound name
(6aR)-6-(cyclopropylmethyl)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 180.4
[M+Na]+ 358.17776 197.3
[M+NH4]+ 353.22236 191.3
[M+K]+ 374.15170 188.8
[M-H]- 334.18126 192.7
[M+Na-2H]- 356.16321 188.1
[M]+ 335.18799 187.7
[M]- 335.18909 187.7
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.