CID 16728623

Chembl238545

Structural Information

Molecular Formula
C16H17BrN4O2
SMILES
COC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N
InChI
InChI=1S/C16H17BrN4O2/c1-22-14-5-2-11(3-6-14)10-23-15-7-4-13(17)8-12(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21)/b20-9+
InChIKey
RABXMKGMSDLPOP-AWQFTUOYSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.0535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.06078 177.3
[M+Na]+ 399.04272 185.4
[M-H]- 375.04622 187.3
[M+NH4]+ 394.08732 192.2
[M+K]+ 415.01666 173.4
[M+H-H2O]+ 359.05076 172.1
[M+HCOO]- 421.05170 203.0
[M+CH3COO]- 435.06735 225.1
[M+Na-2H]- 397.02817 181.8
[M]+ 376.05295 195.6
[M]- 376.05405 195.6
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.