CID 41890

Ethanone, 1-(4-amino-1,2-dimethyl-5-phenyl-1h-pyrrol-3-yl)-

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=C(C(=C(N1C)C2=CC=CC=C2)N)C(=O)C
InChI
InChI=1S/C14H16N2O/c1-9-12(10(2)17)13(15)14(16(9)3)11-7-5-4-6-8-11/h4-8H,15H2,1-3H3
InChIKey
OECCKFYMDPOMDS-UHFFFAOYSA-N
Compound name
1-(4-amino-1,2-dimethyl-5-phenylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

228.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.133546 152.0
[M+Na]+ 251.115488 161.4
[M-H]- 227.118994 158.1
[M+NH4]+ 246.160093 170.7
[M+K]+ 267.089428 157.6
[M+H-H2O]+ 211.123530 144.9
[M+HCOO]- 273.124471 175.7
[M+CH3COO]- 287.140121 195.5
[M+Na-2H]- 249.100936 152.9
[M]+ 228.12572142 152.4
[M]- 228.12681858 152.4
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

patents stripe