CID 13655933

103255-70-5

Structural Information

Molecular Formula
C27H29ClN4O4
SMILES
CCOC1(CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)OCC
InChI
InChI=1S/C27H29ClN4O4/c1-3-35-27(36-4-2)13-15-31(16-14-27)24(33)17-21-19-7-5-6-8-20(19)26(34)32(21)23-12-10-18-9-11-22(28)29-25(18)30-23/h5-12,21H,3-4,13-17H2,1-2H3
InChIKey
PBWXJXNYGHTNEP-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4,4-diethoxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.18774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.19502 223.6
[M+Na]+ 531.17696 230.3
[M-H]- 507.18046 228.7
[M+NH4]+ 526.22156 230.3
[M+K]+ 547.15090 223.3
[M+H-H2O]+ 491.18500 210.1
[M+HCOO]- 553.18594 228.7
[M+CH3COO]- 567.20159 229.1
[M+Na-2H]- 529.16241 221.2
[M]+ 508.18719 226.8
[M]- 508.18829 226.8
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.