CID 168131

3,5,6,8-tetramethyl-n-methyl phenanthrolinium

Structural Information

Molecular Formula
C17H19N2
SMILES
CC1=CC2=C(C3=C(C=C(C=[N+]3C)C)C(=C2C)C)N=C1
InChI
InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1
InChIKey
FQTUZNACZKILMC-UHFFFAOYSA-N
Compound name
1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

251.15483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.16211 161.2
[M+Na]+ 274.14405 174.3
[M-H]- 250.14755 165.7
[M+NH4]+ 269.18865 179.0
[M+K]+ 290.11799 163.0
[M+H-H2O]+ 234.15209 155.7
[M+HCOO]- 296.15303 180.9
[M+CH3COO]- 310.16868 196.0
[M+Na-2H]- 272.12950 170.1
[M]+ 251.15428 164.8
[M]- 251.15538 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe