CID 203635

7-ethylgalanthaminium hydroxide

Structural Information

Molecular Formula
C19H26NO3
SMILES
CC[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)C
InChI
InChI=1S/C19H26NO3/c1-4-20(2)10-9-19-8-7-14(21)11-16(19)23-18-15(22-3)6-5-13(12-20)17(18)19/h5-8,14,16,21H,4,9-12H2,1-3H3/q+1
InChIKey
IGXKBKKXSPWAII-UHFFFAOYSA-N
Compound name
4-ethyl-9-methoxy-4-methyl-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19853 176.0
[M+Na]+ 339.18047 182.7
[M-H]- 315.18397 181.5
[M+NH4]+ 334.22507 195.0
[M+K]+ 355.15441 175.6
[M+H-H2O]+ 299.18851 171.9
[M+HCOO]- 361.18945 187.9
[M+CH3COO]- 375.20510 200.7
[M+Na-2H]- 337.16592 182.2
[M]+ 316.19070 173.3
[M]- 316.19180 173.3
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.