CID 214346

Coluracetam

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C
InChI
InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)
InChIKey
PSPGQHXMUKWNDI-UHFFFAOYSA-N
Compound name
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

413
Patents

341.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 181.2
[M+Na]+ 364.163168 188.6
[M-H]- 340.166674 188.0
[M+NH4]+ 359.207773 196.1
[M+K]+ 380.137108 185.0
[M+H-H2O]+ 324.171210 173.5
[M+HCOO]- 386.172151 197.9
[M+CH3COO]- 400.187801 191.5
[M+Na-2H]- 362.148616 180.3
[M]+ 341.17340142 182.0
[M]- 341.17449858 182.0
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