CID 41884

56463-62-8

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=C(C(=C(N1)C2=CC=C(C=C2)OC)N)C(=O)C
InChI
InChI=1S/C14H16N2O2/c1-8-12(9(2)17)13(15)14(16-8)10-4-6-11(18-3)7-5-10/h4-7,16H,15H2,1-3H3
InChIKey
XUGRXPRIBPIHJJ-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

244.12119 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.7
[M+Na]+ 267.11041 164.5
[M-H]- 243.11391 160.4
[M+NH4]+ 262.15501 172.9
[M+K]+ 283.08435 160.4
[M+H-H2O]+ 227.11845 148.7
[M+HCOO]- 289.11939 178.1
[M+CH3COO]- 303.13504 195.2
[M+Na-2H]- 265.09586 156.2
[M]+ 244.12064 155.7
[M]- 244.12174 155.7
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