CID 5365002

Dihydrovallesiachotamine

Structural Information

Molecular Formula
C21H24N2O3
SMILES
C/C=C(\CO)/C1CC2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3
InChI
InChI=1S/C21H24N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3+
InChIKey
FRUFGLJBMBUARK-QLKAYGNNSA-N
Compound name
methyl 2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 185.4
[M+Na]+ 375.16790 191.7
[M-H]- 351.17140 185.8
[M+NH4]+ 370.21250 199.1
[M+K]+ 391.14184 185.1
[M+H-H2O]+ 335.17594 177.4
[M+HCOO]- 397.17688 196.1
[M+CH3COO]- 411.19253 193.4
[M+Na-2H]- 373.15335 185.6
[M]+ 352.17813 183.9
[M]- 352.17923 183.9
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

No patent data available for this compound.