CID 5347695

Chembl449045

Structural Information

Molecular Formula
C15H15ClN4O
SMILES
C1=CC=C(C(=C1)/C=N/N=C(N)N)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKey
QLZIJPLTRJOVDN-DJKKODMXSA-N
Compound name
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

302.09344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10072 170.1
[M+Na]+ 325.08266 176.8
[M-H]- 301.08616 178.3
[M+NH4]+ 320.12726 185.5
[M+K]+ 341.05660 171.7
[M+H-H2O]+ 285.09070 161.7
[M+HCOO]- 347.09164 195.0
[M+CH3COO]- 361.10729 214.8
[M+Na-2H]- 323.06811 174.7
[M]+ 302.09289 170.8
[M]- 302.09399 170.8
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.