CID 3065389

107879-40-3

Structural Information

Molecular Formula
C21H24N4O
SMILES
CNC1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)NCCN(C)C
InChI
InChI=1S/C21H24N4O/c1-22-20-16-11-7-8-12-17(16)24-19(15-9-5-4-6-10-15)18(20)21(26)23-13-14-25(2)3/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,26)
InChIKey
AIYRPJAODKMYNK-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-(methylamino)-2-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.202276 184.8
[M+Na]+ 371.184218 189.9
[M-H]- 347.187724 191.9
[M+NH4]+ 366.228823 197.1
[M+K]+ 387.158158 185.5
[M+H-H2O]+ 331.192260 174.3
[M+HCOO]- 393.193201 208.1
[M+CH3COO]- 407.208851 226.5
[M+Na-2H]- 369.169666 189.9
[M]+ 348.19445142 185.8
[M]- 348.19554858 185.8
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.