CID 77231560

1021735-84-1

Structural Information

Molecular Formula
C15H26BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H26BN3O4/c1-13(2,3)21-12(20)17-11-10(9-19(8)18-11)16-22-14(4,5)15(6,7)23-16/h9H,1-8H3,(H,17,18,20)
InChIKey
AARRCLBLXYOMQP-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

323.20163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20891 169.9
[M+Na]+ 346.19085 178.4
[M-H]- 322.19435 176.4
[M+NH4]+ 341.23545 187.0
[M+K]+ 362.16479 179.9
[M+H-H2O]+ 306.19889 165.8
[M+HCOO]- 368.19983 187.5
[M+CH3COO]- 382.21548 209.6
[M+Na-2H]- 344.17630 173.3
[M]+ 323.20108 176.1
[M]- 323.20218 176.1
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