CID 13655935

103255-72-7

Structural Information

Molecular Formula
C26H25ClN4O4
SMILES
C1COC2(CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl)OC1
InChI
InChI=1S/C26H25ClN4O4/c27-21-8-6-17-7-9-22(29-24(17)28-21)31-20(18-4-1-2-5-19(18)25(31)33)16-23(32)30-12-10-26(11-13-30)34-14-3-15-35-26/h1-2,4-9,20H,3,10-16H2
InChIKey
QBNSKMKWNAYEMI-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.15643 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.16371 217.0
[M+Na]+ 515.14565 232.2
[M+NH4]+ 510.19025 224.8
[M+K]+ 531.11959 224.3
[M-H]- 491.14915 224.8
[M+Na-2H]- 513.13110 222.1
[M]+ 492.15588 221.8
[M]- 492.15698 221.8
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.