CID 474015

178979-96-9

Structural Information

Molecular Formula
C16H19Cl2N3O2
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)C)CC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O2/c1-9(2)15-13(6-10-4-11(17)7-12(18)5-10)21(3)14(20-15)8-23-16(19)22/h4-5,7,9H,6,8H2,1-3H3,(H2,19,22)
InChIKey
SBNXLGYMMHYQQS-UHFFFAOYSA-N
Compound name
[5-[(3,5-dichlorophenyl)methyl]-1-methyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

355.08542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09270 181.5
[M+Na]+ 378.07464 191.4
[M-H]- 354.07814 185.3
[M+NH4]+ 373.11924 195.1
[M+K]+ 394.04858 185.2
[M+H-H2O]+ 338.08268 174.1
[M+HCOO]- 400.08362 192.5
[M+CH3COO]- 414.09927 215.5
[M+Na-2H]- 376.06009 178.3
[M]+ 355.08487 187.3
[M]- 355.08597 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe