CID 9907289

T-2000

Structural Information

Molecular Formula
C20H20N2O5
SMILES
COCN1C(=O)C(C(=O)N(C1=O)COC)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3
InChIKey
RRFBTKHQZRCRSS-UHFFFAOYSA-N
Compound name
1,3-bis(methoxymethyl)-5,5-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

481
Patents

368.1372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 185.5
[M+Na]+ 391.12642 193.4
[M-H]- 367.12992 192.6
[M+NH4]+ 386.17102 196.6
[M+K]+ 407.10036 189.6
[M+H-H2O]+ 351.13446 174.7
[M+HCOO]- 413.13540 203.5
[M+CH3COO]- 427.15105 216.0
[M+Na-2H]- 389.11187 187.8
[M]+ 368.13665 187.9
[M]- 368.13775 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe