CID 26795

14646-85-6

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
CN(C)CCN1C=CC=C1C(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H19ClN2O2/c1-18(2)10-11-19-9-3-4-15(19)16(20)12-21-14-7-5-13(17)6-8-14/h3-9H,10-12H2,1-2H3
InChIKey
CFVNYBQDBNHRLY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 171.7
[M+Na]+ 329.10272 179.0
[M-H]- 305.10622 178.3
[M+NH4]+ 324.14732 188.2
[M+K]+ 345.07666 175.1
[M+H-H2O]+ 289.11076 163.6
[M+HCOO]- 351.11170 191.4
[M+CH3COO]- 365.12735 208.8
[M+Na-2H]- 327.08817 172.7
[M]+ 306.11295 177.7
[M]- 306.11405 177.7
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.