CID 384131

Nsc673418

Structural Information

Molecular Formula
C28H28N4O4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=C(C(=CC=C4)O)O
InChI
InChI=1S/C28H28N4O4/c33-25-13-6-11-21(26(25)34)27(35)31-17-16-29-14-7-15-30-28(36)22-18-24(19-8-2-1-3-9-19)32-23-12-5-4-10-20(22)23/h1-6,8-13,18,29,33-34H,7,14-17H2,(H,30,36)(H,31,35)
InChIKey
UNLNFLGMEOHGGY-UHFFFAOYSA-N
Compound name
N-[3-[2-[(2,3-dihydroxybenzoyl)amino]ethylamino]propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.21106 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21834 214.1
[M+Na]+ 507.20028 216.1
[M-H]- 483.20378 219.7
[M+NH4]+ 502.24488 217.7
[M+K]+ 523.17422 210.1
[M+H-H2O]+ 467.20832 202.1
[M+HCOO]- 529.20926 232.1
[M+CH3COO]- 543.22491 243.4
[M+Na-2H]- 505.18573 217.1
[M]+ 484.21051 213.1
[M]- 484.21161 213.1
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.