CID 22138387

1,10-phenanthroline-4,7-diamine

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC2=C(C=CN=C2C3=NC=CC(=C31)N)N
InChI
InChI=1S/C12H10N4/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H,(H2,13,15)(H2,14,16)
InChIKey
POALUWHJFRTBJA-UHFFFAOYSA-N
Compound name
1,10-phenanthroline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

210.09055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 143.4
[M+Na]+ 233.079768 154.7
[M-H]- 209.083274 146.3
[M+NH4]+ 228.124373 161.1
[M+K]+ 249.053708 149.0
[M+H-H2O]+ 193.087810 135.4
[M+HCOO]- 255.088751 166.3
[M+CH3COO]- 269.104401 156.4
[M+Na-2H]- 231.065216 154.4
[M]+ 210.09000142 142.4
[M]- 210.09109858 142.4
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