CID 16728611

Chembl397296

Structural Information

Molecular Formula
C15H14BrFN4O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N)F
InChI
InChI=1S/C15H14BrFN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKey
CSJBWXMVHCGKCK-DNTJNYDQSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0335 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04078 174.5
[M+Na]+ 387.02272 183.3
[M-H]- 363.02622 183.4
[M+NH4]+ 382.06732 190.0
[M+K]+ 402.99666 170.4
[M+H-H2O]+ 347.03076 168.9
[M+HCOO]- 409.03170 199.4
[M+CH3COO]- 423.04735 222.7
[M+Na-2H]- 385.00817 178.7
[M]+ 364.03295 190.2
[M]- 364.03405 190.2
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.