CID 16728636

Chembl241059

Structural Information

Molecular Formula
C15H14Cl2N4O
SMILES
C1=CC(=CC=C1COC2=C(C=CC(=C2)Cl)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKey
REIBIJZUPUGDDY-DNTJNYDQSA-N
Compound name
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.05447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06175 178.8
[M+Na]+ 359.04369 186.7
[M-H]- 335.04719 186.4
[M+NH4]+ 354.08829 193.5
[M+K]+ 375.01763 180.4
[M+H-H2O]+ 319.05173 171.4
[M+HCOO]- 381.05267 198.4
[M+CH3COO]- 395.06832 220.1
[M+Na-2H]- 357.02914 181.5
[M]+ 336.05392 181.3
[M]- 336.05502 181.3
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.