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 156.5
[M+Na]+ 265.13112 164.2
[M-H]- 241.13462 162.6
[M+NH4]+ 260.17572 174.5
[M+K]+ 281.10506 161.0
[M+H-H2O]+ 225.13916 149.0
[M+HCOO]- 287.14010 179.5
[M+CH3COO]- 301.15575 198.8
[M+Na-2H]- 263.11657 157.4
[M]+ 242.14135 157.2
[M]- 242.14245 157.2
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