CID 384129

Nsc673416

Structural Information

Molecular Formula
C21H24N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN
InChI
InChI=1S/C21H24N4O/c22-11-14-23-12-6-13-24-21(26)18-15-20(16-7-2-1-3-8-16)25-19-10-5-4-9-17(18)19/h1-5,7-10,15,23H,6,11-14,22H2,(H,24,26)
InChIKey
JSUUQGMIVHBXLZ-UHFFFAOYSA-N
Compound name
N-[3-(2-aminoethylamino)propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 182.5
[M+Na]+ 371.18422 186.5
[M-H]- 347.18772 187.3
[M+NH4]+ 366.22882 193.6
[M+K]+ 387.15816 180.4
[M+H-H2O]+ 331.19226 172.1
[M+HCOO]- 393.19320 204.7
[M+CH3COO]- 407.20885 221.5
[M+Na-2H]- 369.16967 188.3
[M]+ 348.19445 181.0
[M]- 348.19555 181.0
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.