CID 10825476

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

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
CC1=CC=C(C=C1)N2C(=C(N=C2N(C)C)C=O)Cl
InChI
InChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-12(14)11(8-18)15-13(17)16(2)3/h4-8H,1-3H3
InChIKey
OGXMCATXDAWSDC-UHFFFAOYSA-N
Compound name
5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.08255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08983 158.1
[M+Na]+ 286.07177 172.5
[M+NH4]+ 281.11637 166.0
[M+K]+ 302.04571 167.1
[M-H]- 262.07527 161.6
[M+Na-2H]- 284.05722 165.7
[M]+ 263.08200 161.4
[M]- 263.08310 161.4
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