CID 170272

Einecs 254-784-6

Structural Information

Molecular Formula
C26H41N3O2
SMILES
CCCCCCCCN1C(=O)C2(CC(N(C(C2)(C)C)CC3=CC=CC=C3)(C)C)NC1=O
InChI
InChI=1S/C26H41N3O2/c1-6-7-8-9-10-14-17-28-22(30)26(27-23(28)31)19-24(2,3)29(25(4,5)20-26)18-21-15-12-11-13-16-21/h11-13,15-16H,6-10,14,17-20H2,1-5H3,(H,27,31)
InChIKey
WBDYFYYVULBFHX-UHFFFAOYSA-N
Compound name
8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

427.3199 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.32718 205.5
[M+Na]+ 450.30912 211.3
[M-H]- 426.31262 207.9
[M+NH4]+ 445.35372 219.1
[M+K]+ 466.28306 204.8
[M+H-H2O]+ 410.31716 196.2
[M+HCOO]- 472.31810 216.1
[M+CH3COO]- 486.33375 228.1
[M+Na-2H]- 448.29457 202.7
[M]+ 427.31935 204.9
[M]- 427.32045 204.9
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

patents stripe