CID 205787

Ct 4860

Structural Information

Molecular Formula
C17H20N8O
SMILES
C1=CC(=CC(=C1)NN=NC2=CC=C(C=C2)C(=O)NCCC(=N)N)C(=N)N
InChI
InChI=1S/C17H20N8O/c18-15(19)8-9-22-17(26)11-4-6-13(7-5-11)23-25-24-14-3-1-2-12(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,26)(H,23,24)
InChIKey
GRLZAWWYCQPQEX-UHFFFAOYSA-N
Compound name
N-(3-amino-3-iminopropyl)-4-[(3-carbamimidoylanilino)diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.176 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18328 184.3
[M+Na]+ 375.16522 188.9
[M+NH4]+ 370.20982 188.3
[M+K]+ 391.13916 184.8
[M-H]- 351.16872 190.4
[M+Na-2H]- 373.15067 190.0
[M]+ 352.17545 185.7
[M]- 352.17655 185.7
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.