CID 44143209

Ml324

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O
InChI
InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
InChIKey
QDBVSOZTVKXUES-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

18
Patents

349.17902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.6
[M+Na]+ 372.16824 189.9
[M-H]- 348.17174 190.5
[M+NH4]+ 367.21284 196.4
[M+K]+ 388.14218 185.4
[M+H-H2O]+ 332.17628 174.6
[M+HCOO]- 394.17722 205.5
[M+CH3COO]- 408.19287 221.1
[M+Na-2H]- 370.15369 188.7
[M]+ 349.17847 185.9
[M]- 349.17957 185.9
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