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]+ 223.12297 150.0
[M+Na]+ 245.10491 162.5
[M-H]- 221.10841 153.8
[M+NH4]+ 240.14951 168.7
[M+K]+ 261.07885 156.8
[M+H-H2O]+ 205.11295 141.8
[M+HCOO]- 267.11389 170.9
[M+CH3COO]- 281.12954 163.5
[M+Na-2H]- 243.09036 159.4
[M]+ 222.11514 153.4
[M]- 222.11624 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