CID 580281

(+)-aspidospermidine

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC12CCCN3C1C4(CC3)C(CC2)NC5=CC=CC=C45
InChI
InChI=1S/C19H26N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3
InChIKey
YAAIPCQYJYPITK-UHFFFAOYSA-N
Compound name
12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

282.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 170.6
[M+Na]+ 305.19882 176.1
[M-H]- 281.20232 172.2
[M+NH4]+ 300.24342 193.9
[M+K]+ 321.17276 168.9
[M+H-H2O]+ 265.20686 161.1
[M+HCOO]- 327.20780 179.9
[M+CH3COO]- 341.22345 179.3
[M+Na-2H]- 303.18427 171.9
[M]+ 282.20905 164.0
[M]- 282.21015 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe