CID 9576798

Cgp-40215a

Structural Information

Molecular Formula
C17H19N9
SMILES
C1=CC(=CC(=C1)C(=N)N)/C=N/N/C(=N/N=C/C2=CC(=CC=C2)C(=N)N)/N
InChI
InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/b23-9+,24-10+
InChIKey
NSHBIZYDZBQOQB-WDBPGAOMSA-N
Compound name
3-[(E)-[[(E)-N'-[(E)-(3-carbamimidoylphenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

8
Patents

349.17633 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18361 179.2
[M+Na]+ 372.16555 181.1
[M-H]- 348.16905 188.2
[M+NH4]+ 367.21015 190.0
[M+K]+ 388.13949 178.7
[M+H-H2O]+ 332.17359 168.0
[M+HCOO]- 394.17453 211.5
[M+CH3COO]- 408.19018 242.1
[M+Na-2H]- 370.15100 183.1
[M]+ 349.17578 171.2
[M]- 349.17688 171.2
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.