CID 89907256

1492029-43-2

Structural Information

Molecular Formula
C20H23BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N(C=N3)S(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C20H23BN2O4S/c1-14-9-11-15(12-10-14)28(24,25)23-13-22-18-16(7-6-8-17(18)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChIKey
DBSIECRXNCWZIL-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

398.14716 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15444 188.5
[M+Na]+ 421.13638 201.5
[M-H]- 397.13988 200.1
[M+NH4]+ 416.18098 204.4
[M+K]+ 437.11032 199.6
[M+H-H2O]+ 381.14442 183.2
[M+HCOO]- 443.14536 202.9
[M+CH3COO]- 457.16101 201.1
[M+Na-2H]- 419.12183 191.5
[M]+ 398.14661 198.0
[M]- 398.14771 198.0
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

patents stripe