CID 207745

Brn 2944269

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCCCNC(=O)C1=CC(=C(C=C1OCC=C)Cl)N
InChI
InChI=1S/C14H19ClN2O2/c1-3-5-6-17-14(18)10-8-12(16)11(15)9-13(10)19-7-4-2/h4,8-9H,2-3,5-7,16H2,1H3,(H,17,18)
InChIKey
LGVZULZZJUWHFA-UHFFFAOYSA-N
Compound name
5-amino-N-butyl-4-chloro-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 166.2
[M+Na]+ 305.10272 173.6
[M-H]- 281.10622 169.2
[M+NH4]+ 300.14732 182.7
[M+K]+ 321.07666 168.4
[M+H-H2O]+ 265.11076 160.2
[M+HCOO]- 327.11170 185.8
[M+CH3COO]- 341.12735 205.5
[M+Na-2H]- 303.08817 167.3
[M]+ 282.11295 169.3
[M]- 282.11405 169.3
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

No patent data available for this compound.