CID 34126

264co

Structural Information

Molecular Formula
C16H21ClN2O2
SMILES
C=CCOC1=C(C=CC(=C1)Cl)C(=O)NCCN2CCCC2
InChI
InChI=1S/C16H21ClN2O2/c1-2-11-21-15-12-13(17)5-6-14(15)16(20)18-7-10-19-8-3-4-9-19/h2,5-6,12H,1,3-4,7-11H2,(H,18,20)
InChIKey
RRZJJTJOERPZBB-UHFFFAOYSA-N
Compound name
4-chloro-2-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12915 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13643 172.8
[M+Na]+ 331.11837 183.2
[M+NH4]+ 326.16297 179.7
[M+K]+ 347.09231 177.6
[M-H]- 307.12187 175.2
[M+Na-2H]- 329.10382 177.6
[M]+ 308.12860 174.9
[M]- 308.12970 174.9
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.