CID 495129

Nsc644312

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)C1COC2(N1C(=O)C3C2CN(C3)CC4=CC=CC=C4)C
InChI
InChI=1S/C19H26N2O2/c1-13(2)17-12-23-19(3)16-11-20(9-14-7-5-4-6-8-14)10-15(16)18(22)21(17)19/h4-8,13,15-17H,9-12H2,1-3H3
InChIKey
UEVPYIDZJWMMTF-UHFFFAOYSA-N
Compound name
10-benzyl-2-methyl-5-propan-2-yl-3-oxa-6,10-diazatricyclo[6.3.0.02,6]undecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 177.9
[M+Na]+ 337.18865 185.2
[M-H]- 313.19215 184.5
[M+NH4]+ 332.23325 197.9
[M+K]+ 353.16259 182.1
[M+H-H2O]+ 297.19669 171.8
[M+HCOO]- 359.19763 192.8
[M+CH3COO]- 373.21328 188.7
[M+Na-2H]- 335.17410 174.2
[M]+ 314.19888 178.0
[M]- 314.19998 178.0
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.