CID 13655943

103255-80-7

Structural Information

Molecular Formula
C25H23ClN4O4
SMILES
CC(=O)OC1CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C25H23ClN4O4/c1-15(31)34-17-10-12-29(13-11-17)23(32)14-20-18-4-2-3-5-19(18)25(33)30(20)22-9-7-16-6-8-21(26)27-24(16)28-22/h2-9,17,20H,10-14H2,1H3
InChIKey
YUKHTEFULZQGPX-UHFFFAOYSA-N
Compound name
[1-[2-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]acetyl]piperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.14078 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.148056 214.3
[M+Na]+ 501.129998 220.9
[M-H]- 477.133504 219.7
[M+NH4]+ 496.174603 220.2
[M+K]+ 517.103938 213.9
[M+H-H2O]+ 461.138040 201.8
[M+HCOO]- 523.138981 219.4
[M+CH3COO]- 537.154631 220.3
[M+Na-2H]- 499.115446 210.9
[M]+ 478.14023142 215.5
[M]- 478.14132858 215.5
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.