CID 207688

Brn 2943065

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC(C)(C)NC(=O)C1=CC(=C(C=C1OCC=C)Cl)N
InChI
InChI=1S/C14H19ClN2O2/c1-5-6-19-12-8-10(15)11(16)7-9(12)13(18)17-14(2,3)4/h5,7-8H,1,6,16H2,2-4H3,(H,17,18)
InChIKey
ICBSHOUHXDJJHB-UHFFFAOYSA-N
Compound name
5-amino-N-tert-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 166.4
[M+Na]+ 305.102718 174.3
[M-H]- 281.106224 169.9
[M+NH4]+ 300.147323 183.1
[M+K]+ 321.076658 169.7
[M+H-H2O]+ 265.110760 161.2
[M+HCOO]- 327.111701 184.5
[M+CH3COO]- 341.127351 205.2
[M+Na-2H]- 303.088166 168.3
[M]+ 282.11295142 169.0
[M]- 282.11404858 169.0
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.