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

69
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.