CID 56243

91480-88-5

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=C(C=CC(=C1)C2=C(C(=C(N2)C)C(=O)C)N)OC
InChI
InChI=1S/C15H18N2O2/c1-8-7-11(5-6-12(8)19-4)15-14(16)13(10(3)18)9(2)17-15/h5-7,17H,16H2,1-4H3
InChIKey
FGELHULSWNUGDB-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.1
[M+Na]+ 281.126058 169.4
[M-H]- 257.129564 165.0
[M+NH4]+ 276.170663 177.1
[M+K]+ 297.099998 165.1
[M+H-H2O]+ 241.134100 153.2
[M+HCOO]- 303.135041 182.1
[M+CH3COO]- 317.150691 199.5
[M+Na-2H]- 279.111506 159.4
[M]+ 258.13629142 160.8
[M]- 258.13738858 160.8
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.