CID 2921713

Oprea1_323927

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CC(C)C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C
InChI
InChI=1S/C21H21ClN2O2/c1-12(2)14-6-8-15(9-7-14)19(24-13(3)25)17-11-18(22)16-5-4-10-23-20(16)21(17)26/h4-12,19,26H,1-3H3,(H,24,25)
InChIKey
IPSGXKAFCLXWMU-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

368.12915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 186.7
[M+Na]+ 391.11837 194.0
[M-H]- 367.12187 191.6
[M+NH4]+ 386.16297 198.7
[M+K]+ 407.09231 187.7
[M+H-H2O]+ 351.12641 178.6
[M+HCOO]- 413.12735 199.7
[M+CH3COO]- 427.14300 219.4
[M+Na-2H]- 389.10382 187.6
[M]+ 368.12860 189.3
[M]- 368.12970 189.3
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