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

8
Patents

263.08255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.089826 158.5
[M+Na]+ 286.071768 169.4
[M-H]- 262.075274 164.8
[M+NH4]+ 281.116373 176.1
[M+K]+ 302.045708 165.0
[M+H-H2O]+ 246.079810 150.5
[M+HCOO]- 308.080751 178.5
[M+CH3COO]- 322.096401 202.0
[M+Na-2H]- 284.057216 160.7
[M]+ 263.08200142 163.8
[M]- 263.08309858 163.8
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