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 174.0
[M+Na]+ 331.11837 179.5
[M-H]- 307.12187 178.3
[M+NH4]+ 326.16297 189.5
[M+K]+ 347.09231 174.0
[M+H-H2O]+ 291.12641 166.1
[M+HCOO]- 353.12735 190.4
[M+CH3COO]- 367.14300 204.7
[M+Na-2H]- 329.10382 173.7
[M]+ 308.12860 175.0
[M]- 308.12970 175.0
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.