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

3
Patents

308.12915 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.136426 174.0
[M+Na]+ 331.118368 179.5
[M-H]- 307.121874 178.3
[M+NH4]+ 326.162973 189.5
[M+K]+ 347.092308 174.0
[M+H-H2O]+ 291.126410 166.1
[M+HCOO]- 353.127351 190.4
[M+CH3COO]- 367.143001 204.7
[M+Na-2H]- 329.103816 173.7
[M]+ 308.12860142 175.0
[M]- 308.12969858 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

patents stripe