CID 10514790

5-chloro-2-(dimethylamino)-1-phenyl-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
CN(C)C1=NC(=C(N1C2=CC=CC=C2)Cl)C=O
InChI
InChI=1S/C12H12ClN3O/c1-15(2)12-14-10(8-17)11(13)16(12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
PEQNFSIRQFPUCX-UHFFFAOYSA-N
Compound name
5-chloro-2-(dimethylamino)-1-phenylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.0669 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07418 154.0
[M+Na]+ 272.05612 164.4
[M-H]- 248.05962 160.0
[M+NH4]+ 267.10072 171.8
[M+K]+ 288.03006 160.2
[M+H-H2O]+ 232.06416 145.8
[M+HCOO]- 294.06510 174.4
[M+CH3COO]- 308.08075 197.9
[M+Na-2H]- 270.04157 157.5
[M]+ 249.06635 158.5
[M]- 249.06745 158.5
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