CID 47002620

2-amino-4-chloro-1-phenyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
C1=CC=C(C=C1)N2C(=C(N=C2N)Cl)C=O
InChI
InChI=1S/C10H8ClN3O/c11-9-8(6-15)14(10(12)13-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13)
InChIKey
KUPFMGQMOAYLPW-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-3-phenylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.03558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.042856 145.6
[M+Na]+ 244.024798 156.8
[M-H]- 220.028304 150.0
[M+NH4]+ 239.069403 163.7
[M+K]+ 259.998738 151.4
[M+H-H2O]+ 204.032840 138.1
[M+HCOO]- 266.033781 165.5
[M+CH3COO]- 280.049431 187.8
[M+Na-2H]- 242.010246 149.8
[M]+ 221.03503142 147.1
[M]- 221.03612858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe