CID 205785

Ct 4853

Structural Information

Molecular Formula
C17H20N8O
SMILES
C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=O)NCCC(=N)N
InChI
InChI=1S/C17H20N8O/c18-15(19)9-10-22-17(26)12-3-7-14(8-4-12)24-25-23-13-5-1-11(2-6-13)16(20)21/h1-8H,9-10H2,(H3,18,19)(H3,20,21)(H,22,26)(H,23,24)
InChIKey
ZXUIBIUKEYHPDG-UHFFFAOYSA-N
Compound name
N-(3-amino-3-iminopropyl)-4-[(4-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 179.1
[M+Na]+ 375.16522 180.7
[M-H]- 351.16872 187.2
[M+NH4]+ 370.20982 189.6
[M+K]+ 391.13916 178.6
[M+H-H2O]+ 335.17326 168.2
[M+HCOO]- 397.17420 209.7
[M+CH3COO]- 411.18985 239.4
[M+Na-2H]- 373.15067 183.2
[M]+ 352.17545 173.0
[M]- 352.17655 173.0
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.