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]+ 293.150926 162.7
[M+Na]+ 315.132868 168.8
[M-H]- 291.136374 167.9
[M+NH4]+ 310.177473 176.7
[M+K]+ 331.106808 162.6
[M+H-H2O]+ 275.140910 154.3
[M+HCOO]- 337.141851 187.9
[M+CH3COO]- 351.157501 172.9
[M+Na-2H]- 313.118316 167.5
[M]+ 292.14310142 155.9
[M]- 292.14419858 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.