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 158.5
[M+Na]+ 286.07177 169.4
[M-H]- 262.07527 164.8
[M+NH4]+ 281.11637 176.1
[M+K]+ 302.04571 165.0
[M+H-H2O]+ 246.07981 150.5
[M+HCOO]- 308.08075 178.5
[M+CH3COO]- 322.09640 202.0
[M+Na-2H]- 284.05722 160.7
[M]+ 263.08200 163.8
[M]- 263.08310 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