CID 148759

Ptefolonium chloride

Structural Information

Molecular Formula
C18H22NO4
SMILES
CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
InChI
InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1
InChIKey
GZDGTOJAUNXBGU-UHFFFAOYSA-N
Compound name
4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15488 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16216 176.0
[M+Na]+ 339.14410 185.9
[M-H]- 315.14760 181.8
[M+NH4]+ 334.18870 192.4
[M+K]+ 355.11804 178.3
[M+H-H2O]+ 299.15214 172.0
[M+HCOO]- 361.15308 193.6
[M+CH3COO]- 375.16873 204.9
[M+Na-2H]- 337.12955 179.9
[M]+ 316.15433 182.3
[M]- 316.15543 182.3
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.