CID 503988

Chembl283250

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC1=CC(=NC2=C1C=CC(=C2)NC(=O)C)N(C)C
InChI
InChI=1S/C14H17N3O/c1-9-7-14(17(3)4)16-13-8-11(15-10(2)18)5-6-12(9)13/h5-8H,1-4H3,(H,15,18)
InChIKey
AYQWXZDGRBCRQE-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)-4-methylquinolin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.13716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.9
[M+Na]+ 266.12638 163.8
[M-H]- 242.12988 160.9
[M+NH4]+ 261.17098 173.7
[M+K]+ 282.10032 161.6
[M+H-H2O]+ 226.13442 148.1
[M+HCOO]- 288.13536 179.3
[M+CH3COO]- 302.15101 204.6
[M+Na-2H]- 264.11183 161.5
[M]+ 243.13661 157.9
[M]- 243.13771 157.9
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.