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]+ 287.17540 169.0
[M+Na]+ 309.15734 175.1
[M-H]- 285.16084 175.7
[M+NH4]+ 304.20194 185.4
[M+K]+ 325.13128 172.9
[M+H-H2O]+ 269.16538 160.3
[M+HCOO]- 331.16632 193.0
[M+CH3COO]- 345.18197 208.1
[M+Na-2H]- 307.14279 170.0
[M]+ 286.16757 173.3
[M]- 286.16867 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.