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

literature stripe

Patent stripe

patents stripe