CID 41884

Brn 0479614

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

8
Patents

244.12119 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.7
[M+Na]+ 267.110408 164.5
[M-H]- 243.113914 160.4
[M+NH4]+ 262.155013 172.9
[M+K]+ 283.084348 160.4
[M+H-H2O]+ 227.118450 148.7
[M+HCOO]- 289.119391 178.1
[M+CH3COO]- 303.135041 195.2
[M+Na-2H]- 265.095856 156.2
[M]+ 244.12064142 155.7
[M]- 244.12173858 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