CID 16728610

Chembl397295

Structural Information

Molecular Formula
C15H15BrN4O
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N
InChI
InChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKey
CNNMFPOACGPYMP-DJKKODMXSA-N
Compound name
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0429 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05018 170.0
[M+Na]+ 369.03212 178.0
[M-H]- 345.03562 180.0
[M+NH4]+ 364.07672 186.0
[M+K]+ 385.00606 165.6
[M+H-H2O]+ 329.04016 165.3
[M+HCOO]- 391.04110 196.0
[M+CH3COO]- 405.05675 219.1
[M+Na-2H]- 367.01757 175.7
[M]+ 346.04235 186.4
[M]- 346.04345 186.4
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.