CID 9869601

Chembl241097

Structural Information

Molecular Formula
C16H16BrClN4O
SMILES
C/C(=N\N=C(N)N)/C1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16BrClN4O/c1-10(21-22-16(19)20)14-8-12(17)4-7-15(14)23-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-10+
InChIKey
TXYAHWSGXNNGSV-UFFVCSGVSA-N
Compound name
2-[(E)-1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0196 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.02688 183.4
[M+Na]+ 417.00882 192.5
[M-H]- 393.01232 193.4
[M+NH4]+ 412.05342 198.6
[M+K]+ 432.98276 178.5
[M+H-H2O]+ 377.01686 179.5
[M+HCOO]- 439.01780 203.7
[M+CH3COO]- 453.03345 227.2
[M+Na-2H]- 414.99427 186.1
[M]+ 394.01905 202.1
[M]- 394.02015 202.1
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.