CID 366800

Nsc635572

Structural Information

Molecular Formula
C18H24BN5O4S2
SMILES
B1(N=CS1)NS(=O)(=O)C2CCC(CC2)N=NC(C(=O)C)C(=O)NC3=CC=CC=C3C
InChI
InChI=1S/C18H24BN5O4S2/c1-12-5-3-4-6-16(12)21-18(26)17(13(2)25)23-22-14-7-9-15(10-8-14)30(27,28)24-19-20-11-29-19/h3-6,11,14-15,17,24H,7-10H2,1-2H3,(H,21,26)
InChIKey
LFZKXFUHAOGLCE-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-3-oxo-2-[[4-(1,3,2-thiazaboret-2-ylsulfamoyl)cyclohexyl]diazenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14358 200.3
[M+Na]+ 472.12552 196.9
[M-H]- 448.12902 206.6
[M+NH4]+ 467.17012 199.8
[M+K]+ 488.09946 197.4
[M+H-H2O]+ 432.13356 181.4
[M+HCOO]- 494.13450 208.8
[M+CH3COO]- 508.15015 240.6
[M+Na-2H]- 470.11097 200.1
[M]+ 449.13575 207.1
[M]- 449.13685 207.1
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

No patent data available for this compound.