CID 149509

Chembl168077

Structural Information

Molecular Formula
C16H16N6
SMILES
C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)N)C(=N)N
InChI
InChI=1S/C16H16N6/c17-13-11-6-5-10(16(20)21)7-12(11)22-14(13)8-1-3-9(4-2-8)15(18)19/h1-7,22H,17H2,(H3,18,19)(H3,20,21)
InChIKey
YUOZLSIYZUGXHG-UHFFFAOYSA-N
Compound name
3-amino-2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

292.14365 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15093 164.7
[M+Na]+ 315.13287 171.7
[M-H]- 291.13637 169.9
[M+NH4]+ 310.17747 178.8
[M+K]+ 331.10681 165.4
[M+H-H2O]+ 275.14091 156.6
[M+HCOO]- 337.14185 189.2
[M+CH3COO]- 351.15750 174.9
[M+Na-2H]- 313.11832 167.6
[M]+ 292.14310 157.4
[M]- 292.14420 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.