CID 16728630

Chembl395843

Structural Information

Molecular Formula
C15H14ClN5O3
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H14ClN5O3/c16-12-3-1-10(2-4-12)9-24-14-6-5-13(21(22)23)7-11(14)8-19-20-15(17)18/h1-8H,9H2,(H4,17,18,20)/b19-8+
InChIKey
PXMBUQVULVWSQL-UFWORHAWSA-N
Compound name
2-[(E)-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.07852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08580 178.3
[M+Na]+ 370.06774 183.4
[M-H]- 346.07124 186.2
[M+NH4]+ 365.11234 190.6
[M+K]+ 386.04168 175.2
[M+H-H2O]+ 330.07578 174.1
[M+HCOO]- 392.07672 203.8
[M+CH3COO]- 406.09237 216.8
[M+Na-2H]- 368.05319 183.4
[M]+ 347.07797 178.0
[M]- 347.07907 178.0
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.