CID 16728648

Chembl240037

Structural Information

Molecular Formula
C18H18BrClN4O
SMILES
CN(C1=NCCN1)/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18BrClN4O/c1-24(18-21-8-9-22-18)23-11-14-10-15(19)4-7-17(14)25-12-13-2-5-16(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,22)/b23-11+
InChIKey
RJONEYLWTIRFHR-FOKLQQMPSA-N
Compound name
N-[(E)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.03525 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04253 188.8
[M+Na]+ 443.02447 198.7
[M-H]- 419.02797 199.1
[M+NH4]+ 438.06907 202.8
[M+K]+ 458.99841 184.9
[M+H-H2O]+ 403.03251 184.7
[M+HCOO]- 465.03345 205.8
[M+CH3COO]- 479.04910 200.4
[M+Na-2H]- 441.00992 192.1
[M]+ 420.03470 209.2
[M]- 420.03580 209.2
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.