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]+ 283.12078 166.4
[M+Na]+ 305.10272 174.3
[M-H]- 281.10622 169.9
[M+NH4]+ 300.14732 183.1
[M+K]+ 321.07666 169.7
[M+H-H2O]+ 265.11076 161.2
[M+HCOO]- 327.11170 184.5
[M+CH3COO]- 341.12735 205.2
[M+Na-2H]- 303.08817 168.3
[M]+ 282.11295 169.0
[M]- 282.11405 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.