CID 201914

Brn 0630121

Structural Information

Molecular Formula
C24H31N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCCCC4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c28-23-24(27(20-25-23)22-13-7-2-8-14-22)15-18-26(19-16-24)17-9-3-6-12-21-10-4-1-5-11-21/h1-2,4-5,7-8,10-11,13-14H,3,6,9,12,15-20H2,(H,25,28)
InChIKey
VWKIGCAAAWWZMZ-UHFFFAOYSA-N
Compound name
1-phenyl-8-(5-phenylpentyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 196.4
[M+Na]+ 400.23592 199.1
[M-H]- 376.23942 200.7
[M+NH4]+ 395.28052 206.3
[M+K]+ 416.20986 191.3
[M+H-H2O]+ 360.24396 183.6
[M+HCOO]- 422.24490 208.3
[M+CH3COO]- 436.26055 202.6
[M+Na-2H]- 398.22137 195.1
[M]+ 377.24615 189.1
[M]- 377.24725 189.1
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