CID 324705

61895-57-6

Structural Information

Molecular Formula
C30H29N3O5
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C3=C2C=CC=N3)NCCCCCN4C(=O)C5=CC=CC=C5C4=O)OC
InChI
InChI=1S/C30H29N3O5/c1-36-20-12-14-21(15-13-20)38-28-24-11-8-17-32-27(24)25(19-26(28)37-2)31-16-6-3-7-18-33-29(34)22-9-4-5-10-23(22)30(33)35/h4-5,8-15,17,19,31H,3,6-7,16,18H2,1-2H3
InChIKey
ZCKBXAJACLGXSB-UHFFFAOYSA-N
Compound name
2-[5-[[6-methoxy-5-(4-methoxyphenoxy)quinolin-8-yl]amino]pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.21072 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.21800 226.1
[M+Na]+ 534.19994 232.4
[M-H]- 510.20344 234.7
[M+NH4]+ 529.24454 232.4
[M+K]+ 550.17388 226.2
[M+H-H2O]+ 494.20798 213.2
[M+HCOO]- 556.20892 243.7
[M+CH3COO]- 570.22457 248.6
[M+Na-2H]- 532.18539 225.9
[M]+ 511.21017 232.6
[M]- 511.21127 232.6
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.