CID 74265

3,4,7,8-tetramethyl-1,10-phenanthroline

Structural Information

Molecular Formula
C16H16N2
SMILES
CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C
InChI
InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
InChIKey
NPAXPTHCUCUHPT-UHFFFAOYSA-N
Compound name
3,4,7,8-tetramethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

2649
Patents

236.13135 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 154.9
[M+Na]+ 259.120568 167.9
[M-H]- 235.124074 159.0
[M+NH4]+ 254.165173 173.3
[M+K]+ 275.094508 162.0
[M+H-H2O]+ 219.128610 146.7
[M+HCOO]- 281.129551 175.4
[M+CH3COO]- 295.145201 168.3
[M+Na-2H]- 257.106016 162.9
[M]+ 236.13080142 159.0
[M]- 236.13189858 159.0
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