CID 21149701

Tilorone monomethyl iodide

Structural Information

Molecular Formula
C26H37N2O3
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCC[N+](C)(CC)CC
InChI
InChI=1S/C26H37N2O3/c1-6-27(7-2)14-16-30-20-10-12-22-23-13-11-21(19-25(23)26(29)24(22)18-20)31-17-15-28(5,8-3)9-4/h10-13,18-19H,6-9,14-17H2,1-5H3/q+1
InChIKey
YICBKOOKKQRKCB-UHFFFAOYSA-N
Compound name
2-[7-[2-(diethylamino)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.28043 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.28771 210.5
[M+Na]+ 448.26965 215.1
[M-H]- 424.27315 217.6
[M+NH4]+ 443.31425 225.3
[M+K]+ 464.24359 206.1
[M+H-H2O]+ 408.27769 204.7
[M+HCOO]- 470.27863 231.8
[M+CH3COO]- 484.29428 236.0
[M+Na-2H]- 446.25510 214.6
[M]+ 425.27988 218.7
[M]- 425.28098 218.7
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.