CID 42960

59133-39-0

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2)N)C(=O)C
InChI
InChI=1S/C13H14N2O/c1-8-11(9(2)16)12(14)13(15-8)10-6-4-3-5-7-10/h3-7,15H,14H2,1-2H3
InChIKey
LNHXCTFGBVFGMW-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

214.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 148.2
[M+Na]+ 237.099828 156.7
[M-H]- 213.103334 152.7
[M+NH4]+ 232.144433 166.5
[M+K]+ 253.073768 152.2
[M+H-H2O]+ 197.107870 141.3
[M+HCOO]- 259.108811 170.8
[M+CH3COO]- 273.124461 188.7
[M+Na-2H]- 235.085276 149.9
[M]+ 214.11006142 146.0
[M]- 214.11115858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe