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]+ 287.17540 169.0
[M+Na]+ 309.15734 174.9
[M-H]- 285.16084 175.9
[M+NH4]+ 304.20194 185.4
[M+K]+ 325.13128 173.2
[M+H-H2O]+ 269.16538 160.5
[M+HCOO]- 331.16632 192.1
[M+CH3COO]- 345.18197 209.0
[M+Na-2H]- 307.14279 168.9
[M]+ 286.16757 172.7
[M]- 286.16867 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.