CID 379761

118752-28-6

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

CC1=NC2=C3C(=C(C=C2C=C1)N)C=CC(=N3)C

InChI

InChI=1S/C14H13N3/c1-8-3-5-10-7-12(15)11-6-4-9(2)17-14(11)13(10)16-8/h3-7H,15H2,1-2H3

InChIKey

AGSPLEIIRCKYCM-UHFFFAOYSA-N

Compound name

2,9-dimethyl-1,10-phenanthrolin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 223.11095 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.11823	150.1
[M+Na]+	246.10017	162.3
[M-H]-	222.10367	153.6
[M+NH4]+	241.14477	168.2
[M+K]+	262.07411	156.4
[M+H-H2O]+	206.10821	142.0
[M+HCOO]-	268.10915	171.8
[M+CH3COO]-	282.12480	163.3
[M+Na-2H]-	244.08562	159.6
[M]+	223.11040	151.6
[M]-	223.11150	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe