CID 41889

Brn 0400312

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2)N(C)C)C(=O)C
InChI
InChI=1S/C15H18N2O/c1-10-13(11(2)18)15(17(3)4)14(16-10)12-8-6-5-7-9-12/h5-9,16H,1-4H3
InChIKey
MNFJJFDADFHHQQ-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

242.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.5
[M+Na]+ 265.13112 169.7
[M+NH4]+ 260.17572 165.3
[M+K]+ 281.10506 165.4
[M-H]- 241.13462 161.1
[M+Na-2H]- 263.11657 164.4
[M]+ 242.14135 160.1
[M]- 242.14245 160.1
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