CID 9819591

Cgp 25454a

Structural Information

Molecular Formula
C15H20ClN3O2
SMILES
CCN(CC)CCNC(=O)C1=C(C=C(C(=C1)C#N)Cl)OC
InChI
InChI=1S/C15H20ClN3O2/c1-4-19(5-2)7-6-18-15(20)12-8-11(10-17)13(16)9-14(12)21-3/h8-9H,4-7H2,1-3H3,(H,18,20)
InChIKey
JEMKCYHUYUPGFN-UHFFFAOYSA-N
Compound name
4-chloro-5-cyano-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

309.1244 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13168 172.7
[M+Na]+ 332.11362 181.4
[M-H]- 308.11712 176.8
[M+NH4]+ 327.15822 187.2
[M+K]+ 348.08756 177.9
[M+H-H2O]+ 292.12166 159.9
[M+HCOO]- 354.12260 189.5
[M+CH3COO]- 368.13825 223.3
[M+Na-2H]- 330.09907 173.4
[M]+ 309.12385 173.3
[M]- 309.12495 173.3
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