CID 459727

5-(2,5-dimethyl-1-pyrryl)-6-methoxyquinoline

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC=C(N1C2=C(C=CC3=C2C=CC=N3)OC)C
InChI
InChI=1S/C16H16N2O/c1-11-6-7-12(2)18(11)16-13-5-4-10-17-14(13)8-9-15(16)19-3/h4-10H,1-3H3
InChIKey
ZNKDCZGYTSIOFA-UHFFFAOYSA-N
Compound name
5-(2,5-dimethylpyrrol-1-yl)-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.5
[M+Na]+ 275.11549 169.4
[M-H]- 251.11899 163.8
[M+NH4]+ 270.16009 175.5
[M+K]+ 291.08943 164.3
[M+H-H2O]+ 235.12353 149.1
[M+HCOO]- 297.12447 180.8
[M+CH3COO]- 311.14012 171.1
[M+Na-2H]- 273.10094 162.8
[M]+ 252.12572 162.3
[M]- 252.12682 162.3
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.