CID 56255

Ethanone, 1-(4-amino-5-(3-bromophenyl)-2-methyl-1h-pyrrol-3-yl)-, monohydrochloride

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
CC1=C(C(=C(N1)C2=CC(=CC=C2)Br)N)C(=O)C
InChI
InChI=1S/C13H13BrN2O/c1-7-11(8(2)17)12(15)13(16-7)9-4-3-5-10(14)6-9/h3-6,16H,15H2,1-2H3
InChIKey
WHKNVPFKNRVASM-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(3-bromophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02112 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 162.5
[M+Na]+ 315.01034 165.2
[M+NH4]+ 310.05494 166.3
[M+K]+ 330.98428 166.8
[M-H]- 291.01384 163.7
[M+Na-2H]- 312.99579 165.0
[M]+ 292.02057 161.9
[M]- 292.02167 161.9
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.