CID 16728627

Chembl393069

Structural Information

Molecular Formula
C15H13BrF2N4O
SMILES
C1=CC(=C(C=C1F)F)COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N
InChI
InChI=1S/C15H13BrF2N4O/c16-11-2-4-14(10(5-11)7-21-22-15(19)20)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H4,19,20,22)/b21-7+
InChIKey
WFXPFRXCICBYRJ-QPSGOUHRSA-N
Compound name
2-[(E)-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.02408 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03136 179.0
[M+Na]+ 405.01330 188.7
[M-H]- 381.01680 186.9
[M+NH4]+ 400.05790 193.9
[M+K]+ 420.98724 175.3
[M+H-H2O]+ 365.02134 172.5
[M+HCOO]- 427.02228 202.8
[M+CH3COO]- 441.03793 226.4
[M+Na-2H]- 402.99875 181.7
[M]+ 382.02353 193.9
[M]- 382.02463 193.9
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.