CID 86190831

2,4,9-trimethyl-1,10-phenanthroline

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3C)C
InChI
InChI=1S/C15H14N2/c1-9-8-11(3)17-15-13(9)7-6-12-5-4-10(2)16-14(12)15/h4-8H,1-3H3
InChIKey
DPPITTQLRYUZEJ-UHFFFAOYSA-N
Compound name
2,4,9-trimethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.11569 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 150.0
[M+Na]+ 245.104908 162.5
[M-H]- 221.108414 153.8
[M+NH4]+ 240.149513 168.7
[M+K]+ 261.078848 156.8
[M+H-H2O]+ 205.112950 141.8
[M+HCOO]- 267.113891 170.9
[M+CH3COO]- 281.129541 163.5
[M+Na-2H]- 243.090356 159.4
[M]+ 222.11514142 153.4
[M]- 222.11623858 153.4
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

patents stripe