CID 93474

Einecs 279-990-3

Structural Information

Molecular Formula
C25H45N3O3
SMILES
CCCCCCCCCCCCN1C(=O)C2(CC(N(C(C2)(C)C)C(=O)C)(C)C)NC1=O
InChI
InChI=1S/C25H45N3O3/c1-7-8-9-10-11-12-13-14-15-16-17-27-21(30)25(26-22(27)31)18-23(3,4)28(20(2)29)24(5,6)19-25/h7-19H2,1-6H3,(H,26,31)
InChIKey
RAZWNFJQEZAVOT-UHFFFAOYSA-N
Compound name
8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7332
Patents

435.3461 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.35338 204.5
[M+Na]+ 458.33532 209.4
[M-H]- 434.33882 203.4
[M+NH4]+ 453.37992 218.3
[M+K]+ 474.30926 204.5
[M+H-H2O]+ 418.34336 198.2
[M+HCOO]- 480.34430 213.6
[M+CH3COO]- 494.35995 230.9
[M+Na-2H]- 456.32077 200.3
[M]+ 435.34555 206.5
[M]- 435.34665 206.5
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

patents stripe