CID 41886

56463-70-8

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=CC(=CC=C1)C2=C(C(=C(N2)C)C(=O)C)N
InChI
InChI=1S/C14H16N2O/c1-8-5-4-6-11(7-8)14-13(15)12(10(3)17)9(2)16-14/h4-7,16H,15H2,1-3H3
InChIKey
ZXSFNRUVYVQVDB-UHFFFAOYSA-N
Compound name
1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

228.12627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 153.7
[M+Na]+ 251.11549 165.9
[M+NH4]+ 246.16009 161.2
[M+K]+ 267.08943 161.7
[M-H]- 227.11899 156.8
[M+Na-2H]- 249.10094 159.8
[M]+ 228.12572 156.1
[M]- 228.12682 156.1
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

patents stripe