CID 46491

64038-13-7

Structural Information

Molecular Formula
C17H21N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(COC)OC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H21N3O6/c1-3-17(11-7-5-4-6-8-11)13(21)19-16(24)20(14(17)22)9-12(10-25-2)26-15(18)23/h4-8,12H,3,9-10H2,1-2H3,(H2,18,23)(H,19,21,24)
InChIKey
MQQPFLVCCBPWTI-UHFFFAOYSA-N
Compound name
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-methoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.150316 181.8
[M+Na]+ 386.132258 187.2
[M-H]- 362.135764 183.6
[M+NH4]+ 381.176863 191.9
[M+K]+ 402.106198 184.8
[M+H-H2O]+ 346.140300 173.4
[M+HCOO]- 408.141241 197.0
[M+CH3COO]- 422.156891 215.0
[M+Na-2H]- 384.117706 181.4
[M]+ 363.14249142 181.7
[M]- 363.14358858 181.7
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.