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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 161.2
[M+Na]+ 300.12197 168.2
[M-H]- 276.12547 166.4
[M+NH4]+ 295.16657 176.3
[M+K]+ 316.09591 161.7
[M+H-H2O]+ 260.13001 153.2
[M+HCOO]- 322.13095 185.4
[M+CH3COO]- 336.14660 171.9
[M+Na-2H]- 298.10742 165.2
[M]+ 277.13220 155.0
[M]- 277.13330 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.