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]+ 281.20122 169.7
[M+Na]+ 303.18316 176.7
[M-H]- 279.18666 171.7
[M+NH4]+ 298.22776 192.9
[M+K]+ 319.15710 169.6
[M+H-H2O]+ 263.19120 161.1
[M+HCOO]- 325.19214 180.3
[M+CH3COO]- 339.20779 179.3
[M+Na-2H]- 301.16861 170.1
[M]+ 280.19339 166.3
[M]- 280.19449 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.