CID 16728609

Chembl429641

Structural Information

Molecular Formula
C15H14BrClN4O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H14BrClN4O/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
GIUBSOFBEXFZNZ-DNTJNYDQSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.00394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01122 178.0
[M+Na]+ 402.99316 187.9
[M-H]- 378.99666 188.1
[M+NH4]+ 398.03776 193.9
[M+K]+ 418.96710 173.6
[M+H-H2O]+ 363.00120 174.3
[M+HCOO]- 425.00214 199.6
[M+CH3COO]- 439.01779 223.6
[M+Na-2H]- 400.97861 182.5
[M]+ 380.00339 197.0
[M]- 380.00449 197.0
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.