CID 170439626

Schembl26933999

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)C[C@@H]2CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C19H26N2O2/c1-14(2)17-13-23-19-8-9-20(11-15-6-4-3-5-7-15)12-16(19)10-18(22)21(17)19/h3-7,14,16-17H,8-13H2,1-2H3/t16-,17-,19-/m1/s1
InChIKey
KJZSTCSOJKBRFE-ZHALLVOQSA-N
Compound name
(1R,4S,8R)-10-benzyl-4-propan-2-yl-2-oxa-5,10-diazatricyclo[6.4.0.01,5]dodecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.1
[M+Na]+ 337.18865 182.3
[M-H]- 313.19215 183.2
[M+NH4]+ 332.23325 194.4
[M+K]+ 353.16259 179.1
[M+H-H2O]+ 297.19669 168.9
[M+HCOO]- 359.19763 189.9
[M+CH3COO]- 373.21328 186.8
[M+Na-2H]- 335.17410 175.1
[M]+ 314.19888 174.3
[M]- 314.19998 174.3
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