CID 203639

7-pentylgalanthaminium hydroxide

Structural Information

Molecular Formula
C22H32NO3
SMILES
CCCCC[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)C
InChI
InChI=1S/C22H32NO3/c1-4-5-6-12-23(2)13-11-22-10-9-17(24)14-19(22)26-21-18(25-3)8-7-16(15-23)20(21)22/h7-10,17,19,24H,4-6,11-15H2,1-3H3/q+1
InChIKey
KZBSWVRFZXEYMR-UHFFFAOYSA-N
Compound name
9-methoxy-4-methyl-4-pentyl-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

358.23822 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24550 189.5
[M+Na]+ 381.22744 194.8
[M-H]- 357.23094 194.3
[M+NH4]+ 376.27204 206.7
[M+K]+ 397.20138 187.1
[M+H-H2O]+ 341.23548 184.8
[M+HCOO]- 403.23642 200.3
[M+CH3COO]- 417.25207 209.0
[M+Na-2H]- 379.21289 194.0
[M]+ 358.23767 187.6
[M]- 358.23877 187.6
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.