CID 6931130

392312-65-1

Structural Information

Molecular Formula
C22H25NO2
SMILES
CC1(CC1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C22H25NO2/c1-20(6-7-20)21-9-14-8-15(10-21)12-22(11-14,13-21)23-18(24)16-4-2-3-5-17(16)19(23)25/h2-5,14-15H,6-13H2,1H3/t14-,15+,21?,22?
InChIKey
GZLUEKJPEODFLD-BXBLUCELSA-N
Compound name
2-[(5S,7R)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.2
[M+Na]+ 358.17776 195.2
[M+NH4]+ 353.22236 198.2
[M+K]+ 374.15170 183.8
[M-H]- 334.18126 190.9
[M+Na-2H]- 356.16321 185.4
[M]+ 335.18799 188.4
[M]- 335.18909 188.4
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.