CID 203404

Brn 0564553

Structural Information

Molecular Formula
C14H17BN4O2
SMILES
B1(N(C2=C(N1C)N(C(=O)N(C2=O)C)C)C)C3=CC=CC=C3
InChI
InChI=1S/C14H17BN4O2/c1-16-12-11(13(20)17(2)14(16)21)18(3)15(19(12)4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey
WOKNDINWSUVFTO-UHFFFAOYSA-N
Compound name
1,3,4,6-tetramethyl-2-phenyl-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15175 166.5
[M+Na]+ 307.13369 179.9
[M-H]- 283.13719 170.5
[M+NH4]+ 302.17829 180.9
[M+K]+ 323.10763 174.4
[M+H-H2O]+ 267.14173 157.4
[M+HCOO]- 329.14267 184.9
[M+CH3COO]- 343.15832 178.8
[M+Na-2H]- 305.11914 167.9
[M]+ 284.14392 170.2
[M]- 284.14502 170.2
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.