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]+ 349.20228 184.8
[M+Na]+ 371.18422 189.9
[M-H]- 347.18772 191.9
[M+NH4]+ 366.22882 197.1
[M+K]+ 387.15816 185.5
[M+H-H2O]+ 331.19226 174.3
[M+HCOO]- 393.19320 208.1
[M+CH3COO]- 407.20885 226.5
[M+Na-2H]- 369.16967 189.9
[M]+ 348.19445 185.8
[M]- 348.19555 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.