CID 466842

Chembl21296

Structural Information

Molecular Formula
C26H32N2O2
SMILES
C1CC1CN2[C@H](C([C@@H](N(C2=O)CC3CC3)CC4=CC=CC=C4)O)CC5=CC=CC=C5
InChI
InChI=1S/C26H32N2O2/c29-25-23(15-19-7-3-1-4-8-19)27(17-21-11-12-21)26(30)28(18-22-13-14-22)24(25)16-20-9-5-2-6-10-20/h1-10,21-25,29H,11-18H2/t23-,24-/m0/s1
InChIKey
BVTXGKCMPUPOGK-ZEQRLZLVSA-N
Compound name
(4S,6S)-4,6-dibenzyl-1,3-bis(cyclopropylmethyl)-5-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.25365 203.8
[M+Na]+ 427.23559 208.3
[M-H]- 403.23909 212.7
[M+NH4]+ 422.28019 201.4
[M+K]+ 443.20953 202.5
[M+H-H2O]+ 387.24363 194.3
[M+HCOO]- 449.24457 216.9
[M+CH3COO]- 463.26022 208.5
[M+Na-2H]- 425.22104 200.0
[M]+ 404.24582 204.1
[M]- 404.24692 204.1
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.