CID 22799

Isoindolinium, 2-(beta-(diethylmethylammonio)ethyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide

Structural Information

Molecular Formula
C16H24Cl4N2
SMILES
CC[N+](C)(CC)CC[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)C
InChI
InChI=1S/C16H24Cl4N2/c1-5-21(3,6-2)7-8-22(4)9-11-12(10-22)14(18)16(20)15(19)13(11)17/h5-10H2,1-4H3/q+2
InChIKey
ISLGIZSREBHMMW-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.06937 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07665 185.5
[M+Na]+ 407.05859 202.2
[M+NH4]+ 402.10319 196.9
[M+K]+ 423.03253 193.2
[M-H]- 383.06209 190.0
[M+Na-2H]- 405.04404 192.0
[M]+ 384.06882 191.2
[M]- 384.06992 191.2
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.