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]+ 259.14412 160.1
[M+Na]+ 281.12606 169.4
[M-H]- 257.12956 165.0
[M+NH4]+ 276.17066 177.1
[M+K]+ 297.10000 165.1
[M+H-H2O]+ 241.13410 153.2
[M+HCOO]- 303.13504 182.1
[M+CH3COO]- 317.15069 199.5
[M+Na-2H]- 279.11151 159.4
[M]+ 258.13629 160.8
[M]- 258.13739 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.