CID 3010587

2-(4-carbamimidoylanilino)-1h-indole-5-carboxamidine

Structural Information

Molecular Formula
C16H16N6
SMILES
C1=CC(=CC=C1C(=N)N)NC2=CC3=C(N2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C16H16N6/c17-15(18)9-1-4-12(5-2-9)21-14-8-11-7-10(16(19)20)3-6-13(11)22-14/h1-8,21-22H,(H3,17,18)(H3,19,20)
InChIKey
JASVVQIPWJSQQK-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylanilino)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.14365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15093 162.7
[M+Na]+ 315.13287 168.8
[M-H]- 291.13637 167.9
[M+NH4]+ 310.17747 176.7
[M+K]+ 331.10681 162.6
[M+H-H2O]+ 275.14091 154.3
[M+HCOO]- 337.14185 187.9
[M+CH3COO]- 351.15750 172.9
[M+Na-2H]- 313.11832 167.5
[M]+ 292.14310 155.9
[M]- 292.14420 155.9
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.