CID 13655944

103255-81-8

Structural Information

Molecular Formula
C26H25ClN4O4
SMILES
CCC(=O)OC1CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C26H25ClN4O4/c1-2-24(33)35-17-11-13-30(14-12-17)23(32)15-20-18-5-3-4-6-19(18)26(34)31(20)22-10-8-16-7-9-21(27)28-25(16)29-22/h3-10,17,20H,2,11-15H2,1H3
InChIKey
ZAOUYBYLDDGGSY-UHFFFAOYSA-N
Compound name
[1-[2-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]acetyl]piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.15643 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.16371 216.5
[M+Na]+ 515.14565 230.6
[M+NH4]+ 510.19025 221.8
[M+K]+ 531.11959 224.8
[M-H]- 491.14915 219.9
[M+Na-2H]- 513.13110 220.7
[M]+ 492.15588 219.5
[M]- 492.15698 219.5
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.