CID 366748

Nsc635521

Structural Information

Molecular Formula
C22H20N2O5
SMILES
C1C2CC3CC1CC(C2)C3N4C(=O)C(=O)C(C(=O)C4=O)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C22H20N2O5/c25-18-16(20-23-14-3-1-2-4-15(14)29-20)19(26)22(28)24(21(18)27)17-12-6-10-5-11(8-12)9-13(17)7-10/h1-4,10-13,16-17H,5-9H2
InChIKey
BZTYSTQSAGCNLH-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 179.9
[M+Na]+ 415.12642 183.5
[M-H]- 391.12992 180.6
[M+NH4]+ 410.17102 194.2
[M+K]+ 431.10036 179.7
[M+H-H2O]+ 375.13446 169.5
[M+HCOO]- 437.13540 181.6
[M+CH3COO]- 451.15105 186.3
[M+Na-2H]- 413.11187 183.6
[M]+ 392.13665 181.8
[M]- 392.13775 181.8
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.