CID 95820

4-allyloxy-3,5-diisopropylbenzamide

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)C(=O)N
InChI
InChI=1S/C16H23NO2/c1-6-7-19-15-13(10(2)3)8-12(16(17)18)9-14(15)11(4)5/h6,8-11H,1,7H2,2-5H3,(H2,17,18)
InChIKey
IOOQHHCRMGOYJW-UHFFFAOYSA-N
Compound name
3,5-di(propan-2-yl)-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.6
[M+Na]+ 284.16210 169.7
[M-H]- 260.16560 166.7
[M+NH4]+ 279.20670 180.3
[M+K]+ 300.13604 167.2
[M+H-H2O]+ 244.17014 157.2
[M+HCOO]- 306.17108 184.1
[M+CH3COO]- 320.18673 205.2
[M+Na-2H]- 282.14755 161.5
[M]+ 261.17233 165.1
[M]- 261.17343 165.1
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