CID 205789

Ct 4852

Structural Information

Molecular Formula
C20H25N9O2
SMILES
C1=CC(=CC=C1C(=O)NCCC(=N)N)NN=NC2=CC=C(C=C2)C(=O)NCCC(=N)N
InChI
InChI=1S/C20H25N9O2/c21-17(22)9-11-25-19(30)13-1-5-15(6-2-13)27-29-28-16-7-3-14(4-8-16)20(31)26-12-10-18(23)24/h1-8H,9-12H2,(H3,21,22)(H3,23,24)(H,25,30)(H,26,31)(H,27,28)
InChIKey
SBCZAPFEPGISRN-UHFFFAOYSA-N
Compound name
N-(3-amino-3-iminopropyl)-4-[2-[4-[(3-amino-3-iminopropyl)carbamoyl]phenyl]iminohydrazinyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.21313 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.22041 195.9
[M+Na]+ 446.20235 195.3
[M-H]- 422.20585 203.5
[M+NH4]+ 441.24695 203.0
[M+K]+ 462.17629 194.2
[M+H-H2O]+ 406.21039 184.0
[M+HCOO]- 468.21133 225.7
[M+CH3COO]- 482.22698 255.5
[M+Na-2H]- 444.18780 198.3
[M]+ 423.21258 190.1
[M]- 423.21368 190.1
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.