CID 46492

64038-14-8

Structural Information

Molecular Formula
C19H25N3O6
SMILES
CCCOCC(CN1C(=O)C(C(=O)NC1=O)(CC)C2=CC=CC=C2)OC(=O)N
InChI
InChI=1S/C19H25N3O6/c1-3-10-27-12-14(28-17(20)25)11-22-16(24)19(4-2,15(23)21-18(22)26)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,20,25)(H,21,23,26)
InChIKey
LWHWYRYDXGQYHF-UHFFFAOYSA-N
Compound name
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-propoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17435 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18163 190.3
[M+Na]+ 414.16357 194.8
[M-H]- 390.16707 191.7
[M+NH4]+ 409.20817 199.2
[M+K]+ 430.13751 192.0
[M+H-H2O]+ 374.17161 181.5
[M+HCOO]- 436.17255 204.8
[M+CH3COO]- 450.18820 220.9
[M+Na-2H]- 412.14902 188.9
[M]+ 391.17380 190.9
[M]- 391.17490 190.9
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.