CID 53426332

1,7-phenanthrolinium, 4-(6-(diethylmethylammonio)hexyl)-10-hydroxy-7-methyl-, dibromide

Structural Information

Molecular Formula
C24H35N3O
SMILES
CC[N+](C)(CC)CCCCCCC1=C2C=CC3=[N+](C=CC(=O)C3=C2NC=C1)C
InChI
InChI=1S/C24H34N3O/c1-5-27(4,6-2)18-10-8-7-9-11-19-14-16-25-24-20(19)12-13-21-23(24)22(28)15-17-26(21)3/h12-17H,5-11,18H2,1-4H3/q+1/p+1
InChIKey
UIRIPBQFONCDJA-UHFFFAOYSA-O
Compound name
diethyl-methyl-[6-(7-methyl-10-oxo-1H-1,7-phenanthrolin-7-ium-4-yl)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.28528 200.5
[M+Na]+ 404.26722 207.4
[M-H]- 380.27072 203.1
[M+NH4]+ 399.31182 211.4
[M+K]+ 420.24116 189.4
[M+H-H2O]+ 364.27526 195.9
[M+HCOO]- 426.27620 216.5
[M+CH3COO]- 440.29185 214.4
[M+Na-2H]- 402.25267 210.8
[M]+ 381.27745 203.2
[M]- 381.27855 203.2
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.