CID 16728644

Chembl2281961

Structural Information

Molecular Formula
C17H18BrClN4O
SMILES
CC/C(=N\N=C(N)N)/C1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18BrClN4O/c1-2-15(22-23-17(20)21)14-9-12(18)5-8-16(14)24-10-11-3-6-13(19)7-4-11/h3-9H,2,10H2,1H3,(H4,20,21,23)/b22-15+
InChIKey
SJSAEHKFBHTVJM-PXLXIMEGSA-N
Compound name
2-[(E)-1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]propylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.03525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04253 187.8
[M+Na]+ 431.02447 196.5
[M-H]- 407.02797 197.6
[M+NH4]+ 426.06907 202.5
[M+K]+ 446.99841 182.3
[M+H-H2O]+ 391.03251 183.8
[M+HCOO]- 453.03345 207.8
[M+CH3COO]- 467.04910 229.9
[M+Na-2H]- 429.00992 190.0
[M]+ 408.03470 206.9
[M]- 408.03580 206.9
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.