CID 71305

Nanterinone

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=CC(=CC2=C1NC(=O)C=C2)N3C=C(N=C3C)C
InChI
InChI=1S/C15H15N3O/c1-9-6-13(18-8-10(2)16-11(18)3)7-12-4-5-14(19)17-15(9)12/h4-8H,1-3H3,(H,17,19)
InChIKey
NMNXBEXPAHSXOK-UHFFFAOYSA-N
Compound name
6-(2,4-dimethylimidazol-1-yl)-8-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

354
Patents

253.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 158.2
[M+Na]+ 276.110718 171.3
[M-H]- 252.114224 162.3
[M+NH4]+ 271.155323 174.4
[M+K]+ 292.084658 164.7
[M+H-H2O]+ 236.118760 149.8
[M+HCOO]- 298.119701 179.1
[M+CH3COO]- 312.135351 171.1
[M+Na-2H]- 274.096166 162.7
[M]+ 253.12095142 161.0
[M]- 253.12204858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe