CID 1537017

315710-86-2

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CCl)C
InChI
InChI=1S/C16H18ClNO2/c1-4-20-14-7-5-13(6-8-14)18-11(2)9-15(12(18)3)16(19)10-17/h5-9H,4,10H2,1-3H3
InChIKey
MNGZLTHKTKNIRC-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.1026 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 166.3
[M+Na]+ 314.09182 176.4
[M-H]- 290.09532 172.3
[M+NH4]+ 309.13642 183.8
[M+K]+ 330.06576 171.2
[M+H-H2O]+ 274.09986 159.5
[M+HCOO]- 336.10080 184.5
[M+CH3COO]- 350.11645 202.9
[M+Na-2H]- 312.07727 166.3
[M]+ 291.10205 172.6
[M]- 291.10315 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.