CID 394682

Nsc698285

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H22N2O4/c1-13-3-7-15(8-4-13)18-11-17(26)12-19(16-9-5-14(2)6-10-16)23(18)20(27)24-22(29)25-21(23)28/h3-10,18-19H,11-12H2,1-2H3,(H2,24,25,27,28,29)
InChIKey
RBIQWIHZDUHBLC-UHFFFAOYSA-N
Compound name
7,11-bis(4-methylphenyl)-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

390.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 196.1
[M+Na]+ 413.14718 203.0
[M-H]- 389.15068 202.2
[M+NH4]+ 408.19178 205.1
[M+K]+ 429.12112 195.7
[M+H-H2O]+ 373.15522 185.1
[M+HCOO]- 435.15616 206.7
[M+CH3COO]- 449.17181 203.5
[M+Na-2H]- 411.13263 194.1
[M]+ 390.15741 188.5
[M]- 390.15851 188.5
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.