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]+ 253.169916 156.3
[M+Na]+ 275.151858 162.7
[M-H]- 251.155364 158.1
[M+NH4]+ 270.196463 176.5
[M+K]+ 291.125798 156.5
[M+H-H2O]+ 235.159900 146.8
[M+HCOO]- 297.160841 168.0
[M+CH3COO]- 311.176491 166.3
[M+Na-2H]- 273.137306 161.9
[M]+ 252.16209142 152.9
[M]- 252.16318858 152.9
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