CID 56251

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

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=C(NC(=C1C(=O)C)C)C2=CC=CC=C2
InChI
InChI=1S/C14H15NO/c1-9-13(11(3)16)10(2)15-14(9)12-7-5-4-6-8-12/h4-8,15H,1-3H3
InChIKey
FICFGPGVKMGSFA-UHFFFAOYSA-N
Compound name
1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

213.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 149.3
[M+Na]+ 236.10459 162.8
[M+NH4]+ 231.14919 157.5
[M+K]+ 252.07853 157.8
[M-H]- 212.10809 152.3
[M+Na-2H]- 234.09004 156.5
[M]+ 213.11482 152.1
[M]- 213.11592 152.1
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

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