CID 56245

91480-90-9

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1=C(C(=C(N1)C2=CC(=C(C=C2)OC)OC)N)C(=O)C
InChI
InChI=1S/C15H18N2O3/c1-8-13(9(2)18)14(16)15(17-8)10-5-6-11(19-3)12(7-10)20-4/h5-7,17H,16H2,1-4H3
InChIKey
YOTCWOYQOGHXBT-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.4
[M+Na]+ 297.12096 175.9
[M+NH4]+ 292.16556 170.6
[M+K]+ 313.09490 172.8
[M-H]- 273.12446 166.6
[M+Na-2H]- 295.10641 169.1
[M]+ 274.13119 166.4
[M]- 274.13229 166.4
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.