CID 71021965

2,4,7-trimethyl-1,10-phenanthroline

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=C2C=CC3=C(C2=NC=C1)N=C(C=C3C)C
InChI
InChI=1S/C15H14N2/c1-9-6-7-16-14-12(9)4-5-13-10(2)8-11(3)17-15(13)14/h4-8H,1-3H3
InChIKey
RWHMFNNPBWGBTM-UHFFFAOYSA-N
Compound name
2,4,7-trimethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

literature stripe

Patent stripe

patents stripe