CID 10159218

Schembl6012808

Structural Information

Molecular Formula
C23H35N3O2
SMILES
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=CC=C3)CC(C)C
InChI
InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
InChIKey
APZAJCZLYILDDW-UHFFFAOYSA-N
Compound name
9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

385.27292 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.28020 200.1
[M+Na]+ 408.26214 202.9
[M-H]- 384.26564 201.3
[M+NH4]+ 403.30674 208.8
[M+K]+ 424.23608 196.8
[M+H-H2O]+ 368.27018 188.9
[M+HCOO]- 430.27112 208.2
[M+CH3COO]- 444.28677 220.5
[M+Na-2H]- 406.24759 197.0
[M]+ 385.27237 194.1
[M]- 385.27347 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe