CID 86289518

5,10-dihydro-9-dimethylallylphenazine 1-carboxylate

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

CC(=CCC1=C2C(=CC=C1)NC3=CC=CC(=C3N2)C(=O)O)C

InChI

InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)

InChIKey

FDBMKUZJJZNEBJ-UHFFFAOYSA-N

Compound name

9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 294.13684 Da
Monoisotopic Mass: 4.4
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]+	295.144116	170.4
[M+Na]+	317.126058	176.9
[M-H]-	293.129564	168.6
[M+NH4]+	312.170663	182.9
[M+K]+	333.099998	169.7
[M+H-H2O]+	277.134100	162.6
[M+HCOO]-	339.135041	181.5
[M+CH3COO]-	353.150691	178.7
[M+Na-2H]-	315.111506	173.4
[M]+	294.13629142	166.3
[M]-	294.13738858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe