CID 71837

Alloclamide

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCN(CC)CCNC(=O)C1=C(C=C(C=C1)Cl)OCC=C
InChI
InChI=1S/C16H23ClN2O2/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20)
InChIKey
UHWFVIPXDFZTFA-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(diethylamino)ethyl]-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

1200
Patents

310.1448 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 175.2
[M+Na]+ 333.134018 180.9
[M-H]- 309.137524 179.5
[M+NH4]+ 328.178623 191.1
[M+K]+ 349.107958 177.0
[M+H-H2O]+ 293.142060 168.3
[M+HCOO]- 355.143001 195.3
[M+CH3COO]- 369.158651 214.2
[M+Na-2H]- 331.119466 176.2
[M]+ 310.14425142 181.0
[M]- 310.14534858 181.0
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