CID 3010563

Chembl167762

Structural Information

Molecular Formula

C₁₆H₁₅N₅

SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC3=C(N2)C=CC(=C3)C(=N)N

InChI

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

InChIKey

IKKOIDXPCLTTKG-UHFFFAOYSA-N

Compound name

2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
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

No patent data available for this compound.