CID 135435168

2,5-diamidino-indole

Structural Information

Molecular Formula

C₁₀H₁₁N₅

SMILES

C1=CC2=C(C=C1C(=N)N)C=C(N2)C(=N)N

InChI

InChI=1S/C10H11N5/c11-9(12)5-1-2-7-6(3-5)4-8(15-7)10(13)14/h1-4,15H,(H3,11,12)(H3,13,14)

InChIKey

HSODXYJIBYUWNU-UHFFFAOYSA-N

Compound name

1H-indole-2,5-dicarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.10144 Da
Monoisotopic Mass: 0.3
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]+	202.10872	140.9
[M+Na]+	224.09066	148.3
[M-H]-	200.09416	143.0
[M+NH4]+	219.13526	159.2
[M+K]+	240.06460	143.7
[M+H-H2O]+	184.09870	134.0
[M+HCOO]-	246.09964	165.7
[M+CH3COO]-	260.11529	193.4
[M+Na-2H]-	222.07611	145.9
[M]+	201.10089	134.3
[M]-	201.10199	134.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.