CID 5482296

[4-(amino(hydroxyimino)methyl)phenyl]-n-({[4-(amino(hydroxyimino)methyl)phenyl]carbonylamino}methyl)carboxamide

Structural Information

Molecular Formula
C17H18N6O4
SMILES
C1=CC(=CC=C1/C(=N\O)/N)C(=O)NCNC(=O)C2=CC=C(C=C2)/C(=N/O)/N
InChI
InChI=1S/C17H18N6O4/c18-14(22-26)10-1-5-12(6-2-10)16(24)20-9-21-17(25)13-7-3-11(4-8-13)15(19)23-27/h1-8,26-27H,9H2,(H2,18,22)(H2,19,23)(H,20,24)(H,21,25)
InChIKey
XHPICMFDBWEZHM-UHFFFAOYSA-N
Compound name
4-[(E)-N'-hydroxycarbamimidoyl]-N-[[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.13895 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14623 183.2
[M+Na]+ 393.12817 184.7
[M-H]- 369.13167 188.7
[M+NH4]+ 388.17277 192.0
[M+K]+ 409.10211 183.4
[M+H-H2O]+ 353.13621 173.0
[M+HCOO]- 415.13715 208.7
[M+CH3COO]- 429.15280 231.1
[M+Na-2H]- 391.11362 184.4
[M]+ 370.13840 177.9
[M]- 370.13950 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.