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

4
Patents

221.03558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 145.6
[M+Na]+ 244.02480 156.8
[M-H]- 220.02830 150.0
[M+NH4]+ 239.06940 163.7
[M+K]+ 259.99874 151.4
[M+H-H2O]+ 204.03284 138.1
[M+HCOO]- 266.03378 165.5
[M+CH3COO]- 280.04943 187.8
[M+Na-2H]- 242.01025 149.8
[M]+ 221.03503 147.1
[M]- 221.03613 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