CID 297023

102504-89-2

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CC1C(OC2=CC=CC=C2O1)CN3CCC4(CC3)C(=O)N(CN4C5=CC=CC=C5)C
InChI
InChI=1S/C24H29N3O3/c1-18-22(30-21-11-7-6-10-20(21)29-18)16-26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3
InChIKey
XCURAXQEILSZCX-UHFFFAOYSA-N
Compound name
3-methyl-8-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 202.8
[M+Na]+ 430.21012 208.3
[M-H]- 406.21362 211.3
[M+NH4]+ 425.25472 210.9
[M+K]+ 446.18406 204.3
[M+H-H2O]+ 390.21816 190.2
[M+HCOO]- 452.21910 211.2
[M+CH3COO]- 466.23475 210.0
[M+Na-2H]- 428.19557 200.9
[M]+ 407.22035 198.4
[M]- 407.22145 198.4
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.