CID 42960

1-(4-amino-2-methyl-5-phenyl-1h-pyrrol-3-yl)ethanone hydrochloride

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

9
Patents

214.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 149.2
[M+Na]+ 237.09983 161.3
[M+NH4]+ 232.14443 156.9
[M+K]+ 253.07377 157.1
[M-H]- 213.10333 152.3
[M+Na-2H]- 235.08528 155.8
[M]+ 214.11006 151.6
[M]- 214.11116 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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