CID 3040584

52468-28-7

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CC(C)CN(CC1CN(C(=O)CC(=O)O1)C2=CC=CC=C2)CC(C)C
InChI
InChI=1S/C20H30N2O3/c1-15(2)11-21(12-16(3)4)13-18-14-22(17-8-6-5-7-9-17)19(23)10-20(24)25-18/h5-9,15-16,18H,10-14H2,1-4H3
InChIKey
ZUNQIIWASHNROW-UHFFFAOYSA-N
Compound name
2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-1,4-oxazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 186.1
[M+Na]+ 369.21487 194.0
[M+NH4]+ 364.25947 191.0
[M+K]+ 385.18881 190.4
[M-H]- 345.21837 189.5
[M+Na-2H]- 367.20032 189.2
[M]+ 346.22510 188.0
[M]- 346.22620 188.0
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.