CID 16073711

Benzamide, n,n'-1,3-phenylenebis[4-[(hydroxyamino)iminomethyl]-

Structural Information

Molecular Formula
C22H20N6O4
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)/C(=N/O)/N)NC(=O)C3=CC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C22H20N6O4/c23-19(27-31)13-4-8-15(9-5-13)21(29)25-17-2-1-3-18(12-17)26-22(30)16-10-6-14(7-11-16)20(24)28-32/h1-12,31-32H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
InChIKey
AJZWTHMWEXPZPP-UHFFFAOYSA-N
Compound name
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1546 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16188 199.0
[M+Na]+ 455.14382 200.3
[M-H]- 431.14732 207.5
[M+NH4]+ 450.18842 204.9
[M+K]+ 471.11776 197.9
[M+H-H2O]+ 415.15186 187.8
[M+HCOO]- 477.15280 224.0
[M+CH3COO]- 491.16845 243.4
[M+Na-2H]- 453.12927 200.2
[M]+ 432.15405 193.6
[M]- 432.15515 193.6
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.