CID 13655939

103255-76-1

Structural Information

Molecular Formula
C23H18ClN5O5
SMILES
C1CN(CCC1=O)C(=O)CC2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C23H18ClN5O5/c24-19-5-1-13-2-6-20(26-22(13)25-19)28-18(12-21(31)27-9-7-15(30)8-10-27)17-11-14(29(33)34)3-4-16(17)23(28)32/h1-6,11,18H,7-10,12H2
InChIKey
XXIFPGPYMQLCRA-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-5-nitro-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.09964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.10692 212.0
[M+Na]+ 502.08886 217.3
[M-H]- 478.09236 217.7
[M+NH4]+ 497.13346 216.6
[M+K]+ 518.06280 206.6
[M+H-H2O]+ 462.09690 204.1
[M+HCOO]- 524.09784 219.1
[M+CH3COO]- 538.11349 230.1
[M+Na-2H]- 500.07431 213.0
[M]+ 479.09909 210.3
[M]- 479.10019 210.3
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.