CID 297079

102395-33-5

Structural Information

Molecular Formula
C22H31N3O4
SMILES
CC(C)N1C(=O)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)N(C1=O)C(C)C
InChI
InChI=1S/C22H31N3O4/c1-15(2)24-20(26)22(25(16(3)4)21(24)27)9-11-23(12-10-22)13-17-14-28-18-7-5-6-8-19(18)29-17/h5-8,15-17H,9-14H2,1-4H3
InChIKey
QWLAOHSLVVDZMJ-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-di(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23145 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23873 198.8
[M+Na]+ 424.22067 209.0
[M+NH4]+ 419.26527 205.5
[M+K]+ 440.19461 204.5
[M-H]- 400.22417 203.3
[M+Na-2H]- 422.20612 200.3
[M]+ 401.23090 201.4
[M]- 401.23200 201.4
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.