CID 473914

178978-95-5

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C=O)C(C)C)C
InChI
InChI=1S/C16H20N2OS/c1-10(2)15-16(18(5)14(9-19)17-15)20-13-7-11(3)6-12(4)8-13/h6-10H,1-5H3
InChIKey
AMAVGABZULUSLQ-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 166.6
[M+Na]+ 311.11886 177.4
[M-H]- 287.12236 172.1
[M+NH4]+ 306.16346 183.2
[M+K]+ 327.09280 172.5
[M+H-H2O]+ 271.12690 159.4
[M+HCOO]- 333.12784 182.9
[M+CH3COO]- 347.14349 204.7
[M+Na-2H]- 309.10431 163.4
[M]+ 288.12909 172.8
[M]- 288.13019 172.8
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