CID 18229

3,4-dihydro-1-(2-(dimethylamino)ethyl)carbostyril hydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN(C)CCN1C(=O)CCC2=CC=CC=C21
InChI
InChI=1S/C13H18N2O/c1-14(2)9-10-15-12-6-4-3-5-11(12)7-8-13(15)16/h3-6H,7-10H2,1-2H3
InChIKey
DPCBQEZRQXVNJH-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.4
[M+Na]+ 241.131118 155.8
[M-H]- 217.134624 153.3
[M+NH4]+ 236.175723 168.1
[M+K]+ 257.105058 153.7
[M+H-H2O]+ 201.139160 141.7
[M+HCOO]- 263.140101 170.2
[M+CH3COO]- 277.155751 195.9
[M+Na-2H]- 239.116566 155.0
[M]+ 218.14135142 149.1
[M]- 218.14244858 149.1
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

patents stripe