CID 491844

1-[1-(3-aminophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]ethanone

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC1=C(C=C(N1C2=CC=CC(=C2)N)C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C19H18N2O/c1-13-18(14(2)22)12-19(15-7-4-3-5-8-15)21(13)17-10-6-9-16(20)11-17/h3-12H,20H2,1-2H3
InChIKey
YXQLJDIBUMDRHV-UHFFFAOYSA-N
Compound name
1-[1-(3-aminophenyl)-2-methyl-5-phenylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.1
[M+Na]+ 313.13112 177.6
[M-H]- 289.13462 178.1
[M+NH4]+ 308.17572 184.7
[M+K]+ 329.10506 171.9
[M+H-H2O]+ 273.13916 160.4
[M+HCOO]- 335.14010 192.5
[M+CH3COO]- 349.15575 181.1
[M+Na-2H]- 311.11657 169.7
[M]+ 290.14135 168.7
[M]- 290.14245 168.7
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

No patent data available for this compound.