CID 146050207

2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C16H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N=C(N(C3=O)C)C
InChI
InChI=1S/C16H21BN2O3/c1-10-18-12-9-7-8-11(13(12)14(20)19(10)6)17-21-15(2,3)16(4,5)22-17/h7-9H,1-6H3
InChIKey
SWCICBLQWXNZQV-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17180 164.7
[M+Na]+ 323.15374 177.4
[M-H]- 299.15724 172.5
[M+NH4]+ 318.19834 182.6
[M+K]+ 339.12768 176.1
[M+H-H2O]+ 283.16178 157.9
[M+HCOO]- 345.16272 182.2
[M+CH3COO]- 359.17837 206.1
[M+Na-2H]- 321.13919 169.4
[M]+ 300.16397 170.6
[M]- 300.16507 170.6
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.