CID 3010575

Chembl167801

Structural Information

Molecular Formula
C17H16N4
SMILES
C1C(=CC2=C1C=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C17H16N4/c18-16(19)11-3-1-10(2-4-11)14-7-12-5-6-13(17(20)21)8-15(12)9-14/h1-8H,9H2,(H3,18,19)(H3,20,21)
InChIKey
KMRREDJDPNDZJC-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

276.13748 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14476 162.4
[M+Na]+ 299.12670 168.3
[M-H]- 275.13020 169.6
[M+NH4]+ 294.17130 179.4
[M+K]+ 315.10064 162.7
[M+H-H2O]+ 259.13474 154.8
[M+HCOO]- 321.13568 187.5
[M+CH3COO]- 335.15133 173.5
[M+Na-2H]- 297.11215 165.0
[M]+ 276.13693 156.2
[M]- 276.13803 156.2
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