CID 3070611

20,21-dinoreburnamenine, 14,15-dihydro-, (16-alpha)-

Structural Information

Molecular Formula
C17H20N2
SMILES
C1C[C@H]2CCN3C4=CC=CC=C4C5=C3[C@@H]2N(C1)CC5
InChI
InChI=1S/C17H20N2/c1-2-6-15-13(5-1)14-8-10-18-9-3-4-12-7-11-19(15)17(14)16(12)18/h1-2,5-6,12,16H,3-4,7-11H2/t12-,16+/m0/s1
InChIKey
GXHZMCMYZMUTJP-BLLLJJGKSA-N
Compound name
(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 158.5
[M+Na]+ 275.15186 172.8
[M+NH4]+ 270.19646 170.3
[M+K]+ 291.12580 164.9
[M-H]- 251.15536 162.0
[M+Na-2H]- 273.13731 161.6
[M]+ 252.16209 161.7
[M]- 252.16319 161.7
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

patents stripe