CID 139370810

2170679-42-0

Structural Information

Molecular Formula
C42H49N7O8
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)CC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)OC
InChI
InChI=1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)
InChIKey
ZDINQSNMYRVAGP-UHFFFAOYSA-N
Compound name
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

779.36426 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.37154 267.6
[M+Na]+ 802.35348 274.1
[M-H]- 778.35698 262.3
[M+NH4]+ 797.39808 269.0
[M+K]+ 818.32742 278.4
[M+H-H2O]+ 762.36152 268.2
[M+HCOO]- 824.36246 270.0
[M+CH3COO]- 838.37811 307.4
[M+Na-2H]- 800.33893 280.4
[M]+ 779.36371 290.5
[M]- 779.36481 290.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe