CID 393274

Nsc694924

Structural Information

Molecular Formula
C24H23N3O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H23N3O5/c1-16-20(14-17-8-3-2-4-9-17)27(24(31)25-21(16)28)15-32-13-7-12-26-22(29)18-10-5-6-11-19(18)23(26)30/h2-6,8-11H,7,12-15H2,1H3,(H,25,28,31)
InChIKey
DODACJRNSYQICC-UHFFFAOYSA-N
Compound name
2-[3-[(6-benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17104 204.8
[M+Na]+ 456.15298 214.1
[M-H]- 432.15648 210.9
[M+NH4]+ 451.19758 212.1
[M+K]+ 472.12692 206.8
[M+H-H2O]+ 416.16102 193.4
[M+HCOO]- 478.16196 221.6
[M+CH3COO]- 492.17761 227.8
[M+Na-2H]- 454.13843 203.6
[M]+ 433.16321 209.0
[M]- 433.16431 209.0
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.