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]+ 293.028396 160.3
[M+Na]+ 315.010338 172.3
[M-H]- 291.013844 167.3
[M+NH4]+ 310.054943 179.2
[M+K]+ 330.984278 159.2
[M+H-H2O]+ 275.018380 159.1
[M+HCOO]- 337.019321 180.2
[M+CH3COO]- 351.034971 199.3
[M+Na-2H]- 312.995786 162.1
[M]+ 292.02057142 177.0
[M]- 292.02166858 177.0
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.