CID 26799

14648-27-2

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN(C)CCCN1C=CC=C1C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H22N2O2/c1-18(2)11-5-13-19-12-4-6-16(19)17(20)14-7-9-15(21-3)10-8-14/h4,6-10,12H,5,11,13H2,1-3H3
InChIKey
RQWMHDKWRHQAPT-UHFFFAOYSA-N
Compound name
[1-[3-(dimethylamino)propyl]pyrrol-2-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 169.0
[M+Na]+ 309.157338 175.1
[M-H]- 285.160844 175.7
[M+NH4]+ 304.201943 185.4
[M+K]+ 325.131278 172.9
[M+H-H2O]+ 269.165380 160.3
[M+HCOO]- 331.166321 193.0
[M+CH3COO]- 345.181971 208.1
[M+Na-2H]- 307.142786 170.0
[M]+ 286.16757142 173.3
[M]- 286.16866858 173.3
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.