CID 3042745

Brn 0403858

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CC(=O)N
InChI
InChI=1S/C14H15ClN2O/c1-9-7-11(8-14(16)18)10(2)17(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKey
DETSIWMXYXUXHO-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.08728 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 159.9
[M+Na]+ 285.07650 170.0
[M-H]- 261.08000 165.6
[M+NH4]+ 280.12110 178.0
[M+K]+ 301.05044 164.3
[M+H-H2O]+ 245.08454 153.2
[M+HCOO]- 307.08548 178.9
[M+CH3COO]- 321.10113 199.2
[M+Na-2H]- 283.06195 160.2
[M]+ 262.08673 162.3
[M]- 262.08783 162.3
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