CID 26681

1-(2-(dimethylamino)propyl)-2-(o-methoxybenzoyl)pyrrole monohydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(CN1C=CC=C1C(=O)C2=CC=CC=C2OC)N(C)C
InChI
InChI=1S/C17H22N2O2/c1-13(18(2)3)12-19-11-7-9-15(19)17(20)14-8-5-6-10-16(14)21-4/h5-11,13H,12H2,1-4H3
InChIKey
UZTFEBKFNLLWIX-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 169.0
[M+Na]+ 309.157338 174.9
[M-H]- 285.160844 175.9
[M+NH4]+ 304.201943 185.4
[M+K]+ 325.131278 173.2
[M+H-H2O]+ 269.165380 160.5
[M+HCOO]- 331.166321 192.1
[M+CH3COO]- 345.181971 209.0
[M+Na-2H]- 307.142786 168.9
[M]+ 286.16757142 172.7
[M]- 286.16866858 172.7
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

No patent data available for this compound.