CID 394684

Nsc698287

Structural Information

Molecular Formula
C25H28N4O4
SMILES
CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C25H28N4O4/c1-28(2)17-9-5-15(6-10-17)20-13-19(30)14-21(16-7-11-18(12-8-16)29(3)4)25(20)22(31)26-24(33)27-23(25)32/h5-12,20-21H,13-14H2,1-4H3,(H2,26,27,31,32,33)
InChIKey
XUWJVHFJAFWVCG-UHFFFAOYSA-N
Compound name
7,11-bis[4-(dimethylamino)phenyl]-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.21106 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21834 207.9
[M+Na]+ 471.20028 212.3
[M-H]- 447.20378 216.2
[M+NH4]+ 466.24488 215.0
[M+K]+ 487.17422 207.8
[M+H-H2O]+ 431.20832 196.3
[M+HCOO]- 493.20926 221.0
[M+CH3COO]- 507.22491 240.9
[M+Na-2H]- 469.18573 205.5
[M]+ 448.21051 202.3
[M]- 448.21161 202.3
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.