CID 379762

Nsc664734

Structural Information

Molecular Formula

C₁₈H₂₀N₂

SMILES

CC1=C(C2=C(C3=C(C=C2)C(=C(C(=N3)C)C)C)N=C1C)C

InChI

InChI=1S/C18H20N2/c1-9-11(3)15-7-8-16-12(4)10(2)14(6)20-18(16)17(15)19-13(9)5/h7-8H,1-6H3

InChIKey

ZXWUQDVMTJFGMB-UHFFFAOYSA-N

Compound name

2,3,4,7,8,9-hexamethyl-1,10-phenanthroline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 264.16266 Da
Monoisotopic Mass: 4.7
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]+	265.16994	164.5
[M+Na]+	287.15188	178.3
[M-H]-	263.15538	168.9
[M+NH4]+	282.19648	182.3
[M+K]+	303.12582	172.1
[M+H-H2O]+	247.15992	156.3
[M+HCOO]-	309.16086	184.1
[M+CH3COO]-	323.17651	177.6
[M+Na-2H]-	285.13733	169.8
[M]+	264.16211	170.0
[M]-	264.16321	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe