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 184.3
[M+Na]+ 358.17776 192.7
[M-H]- 334.18126 190.7
[M+NH4]+ 353.22236 195.1
[M+K]+ 374.15170 186.5
[M+H-H2O]+ 318.18580 174.3
[M+HCOO]- 380.18674 198.2
[M+CH3COO]- 394.20239 193.3
[M+Na-2H]- 356.16321 187.9
[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.