CID 461583

2,3,4,7,8-pentamethyl-1,10-phenanthroline

Structural Information

Molecular Formula
C17H18N2
SMILES
CC1=CN=C2C(=C1C)C=CC3=C2N=C(C(=C3C)C)C
InChI
InChI=1S/C17H18N2/c1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16/h6-8H,1-5H3
InChIKey
XMFDEYPCQSFXLI-UHFFFAOYSA-N
Compound name
2,3,4,7,8-pentamethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

250.147 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 159.7
[M+Na]+ 273.13622 173.2
[M-H]- 249.13972 164.0
[M+NH4]+ 268.18082 177.9
[M+K]+ 289.11016 167.1
[M+H-H2O]+ 233.14426 151.6
[M+HCOO]- 295.14520 179.8
[M+CH3COO]- 309.16085 173.0
[M+Na-2H]- 271.12167 166.4
[M]+ 250.14645 164.6
[M]- 250.14755 164.6
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