CID 56249

91481-02-6

Structural Information

Molecular Formula
C13H13ClN2O
SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2Cl)N)C(=O)C
InChI
InChI=1S/C13H13ClN2O/c1-7-11(8(2)17)12(15)13(16-7)9-5-3-4-6-10(9)14/h3-6,16H,15H2,1-2H3
InChIKey
TXTMRLJHSIIYMB-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07164 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07892 155.1
[M+Na]+ 271.06086 168.4
[M+NH4]+ 266.10546 163.1
[M+K]+ 287.03480 163.5
[M-H]- 247.06436 158.3
[M+Na-2H]- 269.04631 161.6
[M]+ 248.07109 158.1
[M]- 248.07219 158.1
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.