CID 57382526

1381846-21-4

Structural Information

Molecular Formula
C16H19ClN4O2
SMILES
CC(C)(C)C(=O)NCC1=CC(=C(C=C1)Cl)C(=O)NC2=NC=CN2
InChI
InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKey
MBAHGUNQNAJTLD-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6
Patents

334.11966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.126936 179.6
[M+Na]+ 357.108878 185.9
[M-H]- 333.112384 182.7
[M+NH4]+ 352.153483 192.0
[M+K]+ 373.082818 180.4
[M+H-H2O]+ 317.116920 171.6
[M+HCOO]- 379.117861 194.6
[M+CH3COO]- 393.133511 209.3
[M+Na-2H]- 355.094326 181.4
[M]+ 334.11911142 180.2
[M]- 334.12020858 180.2
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