CID 71306580

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C23H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3NC4=CC=CC5=C4C(=CC=C5)N3
InChI
InChI=1S/C23H25BN2O2/c1-22(2)23(3,4)28-24(27-22)17-13-11-16(12-14-17)21-25-18-9-5-7-15-8-6-10-19(26-21)20(15)18/h5-14,21,25-26H,1-4H3
InChIKey
MLPBPXZGDAAUKD-UHFFFAOYSA-N
Compound name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20818 191.1
[M+Na]+ 395.19012 199.6
[M-H]- 371.19362 198.0
[M+NH4]+ 390.23472 204.5
[M+K]+ 411.16406 194.3
[M+H-H2O]+ 355.19816 180.7
[M+HCOO]- 417.19910 200.8
[M+CH3COO]- 431.21475 200.0
[M+Na-2H]- 393.17557 193.7
[M]+ 372.20035 189.6
[M]- 372.20145 189.6
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.