CID 131751005

N-methylaspidospermatidine

Structural Information

Molecular Formula
C19H24N2
SMILES
C/C=C/1\C2CCN3C1C4(CC3)C(C2)N(C5=CC=CC=C45)C
InChI
InChI=1S/C19H24N2/c1-3-14-13-8-10-21-11-9-19(18(14)21)15-6-4-5-7-16(15)20(2)17(19)12-13/h3-7,13,17-18H,8-12H2,1-2H3/b14-3+
InChIKey
VYHOVEWQRGHTOX-LZWSPWQCSA-N
Compound name
(18E)-18-ethylidene-8-methyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 169.7
[M+Na]+ 303.183158 176.7
[M-H]- 279.186664 171.7
[M+NH4]+ 298.227763 192.9
[M+K]+ 319.157098 169.6
[M+H-H2O]+ 263.191200 161.1
[M+HCOO]- 325.192141 180.3
[M+CH3COO]- 339.207791 179.3
[M+Na-2H]- 301.168606 170.1
[M]+ 280.19339142 166.3
[M]- 280.19448858 166.3
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.