CID 13655941

103255-78-3

Structural Information

Molecular Formula
C25H22ClN5O6
SMILES
C1CN(CCC12OCCO2)C(=O)CC3C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl
InChI
InChI=1S/C25H22ClN5O6/c26-20-5-1-15-2-6-21(28-23(15)27-20)30-19(18-13-16(31(34)35)3-4-17(18)24(30)33)14-22(32)29-9-7-25(8-10-29)36-11-12-37-25/h1-6,13,19H,7-12,14H2
InChIKey
NZSIAJCXTWYGOK-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-nitro-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.12585 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.13313 219.9
[M+Na]+ 546.11507 223.8
[M-H]- 522.11857 228.8
[M+NH4]+ 541.15967 223.6
[M+K]+ 562.08901 216.4
[M+H-H2O]+ 506.12311 212.2
[M+HCOO]- 568.12405 223.6
[M+CH3COO]- 582.13970 235.3
[M+Na-2H]- 544.10052 219.6
[M]+ 523.12530 218.3
[M]- 523.12640 218.3
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.