CID 16728632

Chembl240641

Structural Information

Molecular Formula
C15H13Cl3N4O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2Cl)Cl)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H13Cl3N4O/c16-11-3-1-9(2-4-11)8-23-14-10(7-21-22-15(19)20)5-12(17)6-13(14)18/h1-7H,8H2,(H4,19,20,22)/b21-7+
InChIKey
XRPNYJROVCICCR-QPSGOUHRSA-N
Compound name
2-[(E)-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0155 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.02278 186.7
[M+Na]+ 393.00472 195.4
[M-H]- 369.00822 193.2
[M+NH4]+ 388.04932 200.4
[M+K]+ 408.97866 188.6
[M+H-H2O]+ 353.01276 180.3
[M+HCOO]- 415.01370 200.7
[M+CH3COO]- 429.02935 225.5
[M+Na-2H]- 390.99017 187.4
[M]+ 370.01495 190.0
[M]- 370.01605 190.0
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.