CID 156646

4,6-diamidino-2-phenylindole dihydrochloride

Structural Information

Molecular Formula

C₁₆H₁₅N₅

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3N2)C(=N)N)C(=N)N

InChI

InChI=1S/C16H15N5/c17-15(18)10-6-12(16(19)20)11-8-13(21-14(11)7-10)9-4-2-1-3-5-9/h1-8,21H,(H3,17,18)(H3,19,20)

InChIKey

BUOYTFVLNZIELF-UHFFFAOYSA-N

Compound name

2-phenyl-1H-indole-4,6-dicarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 534
References: 6278
Patents: 277.13275 Da
Monoisotopic Mass: 1.6
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]+	278.140026	161.2
[M+Na]+	300.121968	168.2
[M-H]-	276.125474	166.4
[M+NH4]+	295.166573	176.3
[M+K]+	316.095908	161.7
[M+H-H2O]+	260.130010	153.2
[M+HCOO]-	322.130951	185.4
[M+CH3COO]-	336.146601	171.9
[M+Na-2H]-	298.107416	165.2
[M]+	277.13220142	155.0
[M]-	277.13329858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe