CID 362488

Nsc626498

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC1(COC2N1C(=O)C2N(CC3=CC=CC=C3)CC4=CC=CC=C4)C
InChI
InChI=1S/C21H24N2O2/c1-21(2)15-25-20-18(19(24)23(20)21)22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,20H,13-15H2,1-2H3
InChIKey
CBUHRTWRODPERM-UHFFFAOYSA-N
Compound name
6-(dibenzylamino)-2,2-dimethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 178.1
[M+Na]+ 359.17300 183.3
[M-H]- 335.17650 188.7
[M+NH4]+ 354.21760 187.5
[M+K]+ 375.14694 183.6
[M+H-H2O]+ 319.18104 164.2
[M+HCOO]- 381.18198 197.2
[M+CH3COO]- 395.19763 218.5
[M+Na-2H]- 357.15845 180.4
[M]+ 336.18323 188.4
[M]- 336.18433 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.