CID 16728625

Chembl393068

Structural Information

Molecular Formula
C21H19BrN4O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Br)/C=N/N=C(N)N
InChI
InChI=1S/C21H19BrN4O/c22-19-10-11-20(18(12-19)13-25-26-21(23)24)27-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,23,24,26)/b25-13+
InChIKey
UASZKZLSQSTYJO-DHRITJCHSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-phenylphenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.07422 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08150 192.0
[M+Na]+ 445.06344 199.1
[M-H]- 421.06694 204.5
[M+NH4]+ 440.10804 204.7
[M+K]+ 461.03738 185.8
[M+H-H2O]+ 405.07148 186.3
[M+HCOO]- 467.07242 217.1
[M+CH3COO]- 481.08807 233.1
[M+Na-2H]- 443.04889 196.4
[M]+ 422.07367 208.3
[M]- 422.07477 208.3
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.