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 160.3
[M+Na]+ 315.01034 172.3
[M-H]- 291.01384 167.3
[M+NH4]+ 310.05494 179.2
[M+K]+ 330.98428 159.2
[M+H-H2O]+ 275.01838 159.1
[M+HCOO]- 337.01932 180.2
[M+CH3COO]- 351.03497 199.3
[M+Na-2H]- 312.99579 162.1
[M]+ 292.02057 177.0
[M]- 292.02167 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.